Question stringlengths 713 1.05k | Answer stringclasses 2 values | TargetMolecule stringlengths 3 339 | SampleMethod stringclasses 1 value | SampleNum int64 0 0 | SampleRep stringclasses 1 value | image imagewidth (px) 300 300 |
|---|---|---|---|---|---|---|
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure.
You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well.
Examples:
Target Molecule (Smiles): C=CC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)/C(=N\OCC(=O)[O-])/c3csc(n3)N)SC1)C(=O)[O-]
Clinical Trial Toxicity:
| <boolean>Yes | C=CC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)/C(=N\OCC(=O)[O-])/c3csc(n3)N)SC1)C(=O)[O-] | random | 0 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure.
You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well.
Examples:
Target Molecule (Smiles): C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)CO)O)C)O)F)C
Clinical Trial Toxicity:
| <boolean>Yes | C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)CO)O)C)O)F)C | random | 0 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure.
You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well.
Examples:
Target Molecule (Smiles): C[NH+]1CCC(CC1)COc2cc3c(cc2OC)c(ncn3)Nc4ccc(cc4F)Br
Clinical Trial Toxicity:
| <boolean>Yes | C[NH+]1CCC(CC1)COc2cc3c(cc2OC)c(ncn3)Nc4ccc(cc4F)Br | random | 0 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure.
You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well.
Examples:
Target Molecule (Smiles): C[C@](Cc1ccc(c(c1)O)O)(C(=O)[O-])[NH3+]
Clinical Trial Toxicity:
| <boolean>Yes | C[C@](Cc1ccc(c(c1)O)O)(C(=O)[O-])[NH3+] | random | 0 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure.
You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well.
Examples:
Target Molecule (Smiles): CC[NH2+][C@@H]1C[C@@H]([C@H]([C@@H]([C@H]1O[C@@H]2[C@@H]([C@H]([C@@](CO2)(C)O)[NH2+]C)O)O)O[C@@H]3[C@@H](CC=C(O3)C[NH3+])[NH3+])[NH3+]
Clinical Trial Toxicity:
| <boolean>Yes | CC[NH2+][C@@H]1C[C@@H]([C@H]([C@@H]([C@H]1O[C@@H]2[C@@H]([C@H]([C@@](CO2)(C)O)[NH2+]C)O)O)O[C@@H]3[C@@H](CC=C(O3)C[NH3+])[NH3+])[NH3+] | random | 0 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure.
You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well.
Examples:
Target Molecule (Smiles): CC(C)C(CCC[NH+](C)CCc1ccc(c(c1)OC)OC)(C#N)c2ccc(c(c2)OC)OC
Clinical Trial Toxicity:
| <boolean>Yes | CC(C)C(CCC[NH+](C)CCc1ccc(c(c1)OC)OC)(C#N)c2ccc(c(c2)OC)OC | random | 0 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure.
You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well.
Examples:
Target Molecule (Smiles): CCCc1nc(c2n1[nH]c(nc2=O)c3cc(ccc3OCC)S(=O)(=O)N4CC[NH+](CC4)CC)C
Clinical Trial Toxicity:
| <boolean>Yes | CCCc1nc(c2n1[nH]c(nc2=O)c3cc(ccc3OCC)S(=O)(=O)N4CC[NH+](CC4)CC)C | random | 0 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure.
You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well.
Examples:
Target Molecule (Smiles): C[N+]1(C2CCC1CC(C2)OC(=O)C(c3ccccc3)O)C
Clinical Trial Toxicity:
| <boolean>Yes | C[N+]1(C2CCC1CC(C2)OC(=O)C(c3ccccc3)O)C | random | 0 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure.
You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well.
Examples:
Target Molecule (Smiles): Cc1c2cc3c(c(c([nH]3)cc4nc(cc5nc(cc(c1C(C)O)[nH]2)C(=C5CCC(=O)[O-])C)C(=C4C)CCC(=O)[O-])C)C(C)OC(C)c6c(c7cc8c(c(c([nH]8)cc9nc(cc1nc(cc6[nH]7)C(=C1CCC(=O)[O-])C)C(=C9C)CCC(=O)[O-])C)C(C)O)C
Clinical Trial Toxicity:
| <boolean>Yes | Cc1c2cc3c(c(c([nH]3)cc4nc(cc5nc(cc(c1C(C)O)[nH]2)C(=C5CCC(=O)[O-])C)C(=C4C)CCC(=O)[O-])C)C(C)OC(C)c6c(c7cc8c(c(c([nH]8)cc9nc(cc1nc(cc6[nH]7)C(=C1CCC(=O)[O-])C)C(=C9C)CCC(=O)[O-])C)C(C)O)C | random | 0 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure.
You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well.
Examples:
Target Molecule (Smiles): CC#CCC(C)[C@@H](/C=C/[C@H]1[C@@H](C[C@H]2[C@@H]1C/C(=C/CCCC(=O)[O-])/C2)O)O
Clinical Trial Toxicity:
| <boolean>Yes | CC#CCC(C)[C@@H](/C=C/[C@H]1[C@@H](C[C@H]2[C@@H]1C/C(=C/CCCC(=O)[O-])/C2)O)O | random | 0 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure.
You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well.
Examples:
Target Molecule (Smiles): C1CCN[C@@H](C1)C2(CN(C2)C(=O)C3=C(C(=C(C=C3)F)F)NC4=C(C=C(C=C4)I)F)O
Clinical Trial Toxicity:
| No</boolean> | C1CCN[C@@H](C1)C2(CN(C2)C(=O)C3=C(C(=C(C=C3)F)F)NC4=C(C=C(C=C4)I)F)O | random | 0 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure.
You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well.
Examples:
Target Molecule (Smiles): C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](Cc3c2c(c4c(c3[O-])C(=O)c5cccc(c5C4=O)OC)[O-])(C(=O)C)O)[NH3+])O
Clinical Trial Toxicity:
| <boolean>Yes | C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](Cc3c2c(c4c(c3[O-])C(=O)c5cccc(c5C4=O)OC)[O-])(C(=O)C)O)[NH3+])O | random | 0 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure.
You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well.
Examples:
Target Molecule (Smiles): Cc1cccc(c1NC(=O)C[NH+](CC(=O)[O-])CC(=O)[O-])C
Clinical Trial Toxicity:
| <boolean>Yes | Cc1cccc(c1NC(=O)C[NH+](CC(=O)[O-])CC(=O)[O-])C | random | 0 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure.
You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well.
Examples:
Target Molecule (Smiles): CCCc1nc(c2n1[nH]c(nc2=O)c3cc(ccc3OCC)S(=O)(=O)N4CC[NH+](CC4)CC)C
Clinical Trial Toxicity:
| <boolean>Yes | CCCc1nc(c2n1[nH]c(nc2=O)c3cc(ccc3OCC)S(=O)(=O)N4CC[NH+](CC4)CC)C | random | 0 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure.
You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well.
Examples:
Target Molecule (Smiles): c1cc(c(c2c1[NH+]=C3NC(=O)CN3C2)Cl)Cl
Clinical Trial Toxicity:
| <boolean>Yes | c1cc(c(c2c1[NH+]=C3NC(=O)CN3C2)Cl)Cl | random | 0 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure.
You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well.
Examples:
Target Molecule (Smiles): CCCCCCCCCCCCCCCC(=O)OC/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(CCCC1(C)C)C
Clinical Trial Toxicity:
| <boolean>Yes | CCCCCCCCCCCCCCCC(=O)OC/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(CCCC1(C)C)C | random | 0 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure.
You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well.
Examples:
Target Molecule (Smiles): COc1ccc(c(c1)C(CNC(=O)C[NH3+])O)OC
Clinical Trial Toxicity:
| <boolean>Yes | COc1ccc(c(c1)C(CNC(=O)C[NH3+])O)OC | random | 0 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure.
You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well.
Examples:
Target Molecule (Smiles): COc1cc(cc(c1OC)OC)Cc2cnc(nc2N)N
Clinical Trial Toxicity:
| <boolean>Yes | COc1cc(cc(c1OC)OC)Cc2cnc(nc2N)N | random | 0 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure.
You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well.
Examples:
Target Molecule (Smiles): CCCCC[C@@H](/C=C/[C@H]1[C@@H](CC(=O)[C@@H]1C/C=C\CCCC(=O)[O-])O)O
Clinical Trial Toxicity:
| <boolean>Yes | CCCCC[C@@H](/C=C/[C@H]1[C@@H](CC(=O)[C@@H]1C/C=C\CCCC(=O)[O-])O)O | random | 0 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure.
You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well.
Examples:
Target Molecule (Smiles): C[NH+](C)CCOc1ccc(cc1)CNC(=O)c2cc(c(c(c2)OC)OC)OC
Clinical Trial Toxicity:
| <boolean>Yes | C[NH+](C)CCOc1ccc(cc1)CNC(=O)c2cc(c(c(c2)OC)OC)OC | random | 0 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure.
You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well.
Examples:
Target Molecule (Smiles): CC(C)c1ccc2c(c1)c(=O)c3cc(c(nc3o2)N)C(=O)[O-]
Clinical Trial Toxicity:
| <boolean>Yes | CC(C)c1ccc2c(c1)c(=O)c3cc(c(nc3o2)N)C(=O)[O-] | random | 0 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure.
You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well.
Examples:
Target Molecule (Smiles): CC(CCc1ccc(cc1)O)[NH2+]CCc2ccc(c(c2)O)O
Clinical Trial Toxicity:
| <boolean>Yes | CC(CCc1ccc(cc1)O)[NH2+]CCc2ccc(c(c2)O)O | random | 0 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure.
You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well.
Examples:
Target Molecule (Smiles): CC(=O)[N-]S(=O)(=O)c1ccc(cc1)N
Clinical Trial Toxicity:
| <boolean>Yes | CC(=O)[N-]S(=O)(=O)c1ccc(cc1)N | random | 0 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure.
You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well.
Examples:
Target Molecule (Smiles): CC(C)[NH2+]CC(COc1ccc(cc1)CC(=O)N)O
Clinical Trial Toxicity:
| <boolean>Yes | CC(C)[NH2+]CC(COc1ccc(cc1)CC(=O)N)O | random | 0 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure.
You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well.
Examples:
Target Molecule (Smiles): C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@]2([C@H](C[C@]4([C@H]3C[C@@H]5[C@]4(OC(O5)(C)C)C(=O)CCl)C)O)F
Clinical Trial Toxicity:
| <boolean>Yes | C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@]2([C@H](C[C@]4([C@H]3C[C@@H]5[C@]4(OC(O5)(C)C)C(=O)CCl)C)O)F | random | 0 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure.
You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well.
Examples:
Target Molecule (Smiles): c1ccc(cc1)c2c(nc3c(n2)c(nc(n3)N)N)N
Clinical Trial Toxicity:
| <boolean>Yes | c1ccc(cc1)c2c(nc3c(n2)c(nc(n3)N)N)N | random | 0 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure.
You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well.
Examples:
Target Molecule (Smiles): CC(=O)Nc1c(c(c(c(c1I)N(C)C(=O)C)I)C(=O)[O-])I
Clinical Trial Toxicity:
| <boolean>Yes | CC(=O)Nc1c(c(c(c(c1I)N(C)C(=O)C)I)C(=O)[O-])I | random | 0 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure.
You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well.
Examples:
Target Molecule (Smiles): c1ccc2c(c1)C(=O)NC2(c3ccc(c(c3)S(=O)(=O)N)Cl)O
Clinical Trial Toxicity:
| <boolean>Yes | c1ccc2c(c1)C(=O)NC2(c3ccc(c(c3)S(=O)(=O)N)Cl)O | random | 0 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure.
You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well.
Examples:
Target Molecule (Smiles): CC(Cc1ccccc1)[NH3+]
Clinical Trial Toxicity:
| <boolean>Yes | CC(Cc1ccccc1)[NH3+] | random | 0 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure.
You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well.
Examples:
Target Molecule (Smiles): Cc1cc2c(cc1C(=C)c3ccc(cc3)C(=O)[O-])C(CCC2(C)C)(C)C
Clinical Trial Toxicity:
| <boolean>Yes | Cc1cc2c(cc1C(=C)c3ccc(cc3)C(=O)[O-])C(CCC2(C)C)(C)C | random | 0 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure.
You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well.
Examples:
Target Molecule (Smiles): c1cc(ccc1C(=O)CCC[NH+]2CCC(CC2)(c3ccc(cc3)Cl)O)F
Clinical Trial Toxicity:
| <boolean>Yes | c1cc(ccc1C(=O)CCC[NH+]2CCC(CC2)(c3ccc(cc3)Cl)O)F | random | 0 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure.
You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well.
Examples:
Target Molecule (Smiles): CC(=O)OCC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)/C(=N\OC)/c3csc(n3)N)SC1)C(=O)[O-]
Clinical Trial Toxicity:
| <boolean>Yes | CC(=O)OCC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)/C(=N\OC)/c3csc(n3)N)SC1)C(=O)[O-] | random | 0 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure.
You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well.
Examples:
Target Molecule (Smiles): C(CN(CC[NH+](CC(=O)[O-])CC(=O)[O-])CC(=O)[O-])[NH+](CC(=O)[O-])CC(=O)[O-]
Clinical Trial Toxicity:
| <boolean>Yes | C(CN(CC[NH+](CC(=O)[O-])CC(=O)[O-])CC(=O)[O-])[NH+](CC(=O)[O-])CC(=O)[O-] | random | 0 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure.
You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well.
Examples:
Target Molecule (Smiles): CC(C(=O)NCC(=O)[O-])S
Clinical Trial Toxicity:
| <boolean>Yes | CC(C(=O)NCC(=O)[O-])S | random | 0 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure.
You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well.
Examples:
Target Molecule (Smiles): CCC1(CCC(=O)NC1=O)c2ccc(cc2)N
Clinical Trial Toxicity:
| <boolean>Yes | CCC1(CCC(=O)NC1=O)c2ccc(cc2)N | random | 0 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure.
You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well.
Examples:
Target Molecule (Smiles): CCc1c(c(c(c(c1Cl)[O-])Cl)O)C(=O)O[C@@H]2[C@H](O[C@H]([C@H]([C@H]2O)OC)OC/C/3=C\\C=C\\C[C@@H](/C(=C/[C@@H]([C@H](/C(=C/C(=C/C[C@H](OC3=O)[C@@H](C)O)/C)/C)O[C@H]4[C@H]([C@H]([C@@H](C(O4)(C)C)OC(=O)C(C)C)O)O)CC)/C)O)C
Clinical Trial Toxicity:
| <boolean>Yes | CCc1c(c(c(c(c1Cl)[O-])Cl)O)C(=O)O[C@@H]2[C@H](O[C@H]([C@H]([C@H]2O)OC)OC/C/3=C\\C=C\\C[C@@H](/C(=C/[C@@H]([C@H](/C(=C/C(=C/C[C@H](OC3=O)[C@@H](C)O)/C)/C)O[C@H]4[C@H]([C@H]([C@@H](C(O4)(C)C)OC(=O)C(C)C)O)O)CC)/C)O)C | random | 0 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure.
You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well.
Examples:
Target Molecule (Smiles): Cc1[nH]c2c(n1)-c3ccccc3N(CC2)C(=O)c4ccc(cc4)NC(=O)c5ccccc5c6ccccc6
Clinical Trial Toxicity:
| <boolean>Yes | Cc1[nH]c2c(n1)-c3ccccc3N(CC2)C(=O)c4ccc(cc4)NC(=O)c5ccccc5c6ccccc6 | random | 0 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure.
You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well.
Examples:
Target Molecule (Smiles): C[NH+](C)[C@H]1[C@@H]2C[C@@H]3[C@@H](c4c(ccc(c4C(=O)C3=C([C@@]2(C(=O)C(=C1[O-])C(=O)N)O)[O-])[O-])Cl)O
Clinical Trial Toxicity:
| <boolean>Yes | C[NH+](C)[C@H]1[C@@H]2C[C@@H]3[C@@H](c4c(ccc(c4C(=O)C3=C([C@@]2(C(=O)C(=C1[O-])C(=O)N)O)[O-])[O-])Cl)O | random | 0 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure.
You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well.
Examples:
Target Molecule (Smiles): C(=O)(N)N
Clinical Trial Toxicity:
| <boolean>Yes | C(=O)(N)N | random | 0 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure.
You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well.
Examples:
Target Molecule (Smiles): c1cc(cnc1)CC(O)(P(=O)([O-])[O-])P(=O)([O-])[O-]
Clinical Trial Toxicity:
| <boolean>Yes | c1cc(cnc1)CC(O)(P(=O)([O-])[O-])P(=O)([O-])[O-] | random | 0 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure.
You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well.
Examples:
Target Molecule (Smiles): c1cc(c(cc1OCC(F)(F)F)C(=O)NCC2CCCC[NH2+]2)OCC(F)(F)F
Clinical Trial Toxicity:
| <boolean>Yes | c1cc(c(cc1OCC(F)(F)F)C(=O)NCC2CCCC[NH2+]2)OCC(F)(F)F | random | 0 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure.
You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well.
Examples:
Target Molecule (Smiles): CCOC(=O)C1=C(NC(=C(C1c2ccccc2Cl)C(=O)OC)C)COCC[NH3+]
Clinical Trial Toxicity:
| <boolean>Yes | CCOC(=O)C1=C(NC(=C(C1c2ccccc2Cl)C(=O)OC)C)COCC[NH3+] | random | 0 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure.
You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well.
Examples:
Target Molecule (Smiles): Cc1cccc(c1NC(=O)C[NH+]2CCN(CC2)CC(COc3ccccc3OC)O)C
Clinical Trial Toxicity:
| <boolean>Yes | Cc1cccc(c1NC(=O)C[NH+]2CCN(CC2)CC(COc3ccccc3OC)O)C | random | 0 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure.
You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well.
Examples:
Target Molecule (Smiles): CCN(Cc1ccncc1)C(=O)C(CO)c2ccccc2
Clinical Trial Toxicity:
| <boolean>Yes | CCN(Cc1ccncc1)C(=O)C(CO)c2ccccc2 | random | 0 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure.
You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well.
Examples:
Target Molecule (Smiles): C1CCN(CC1)C(=O)C2=CC3=NON=C3C=C2
Clinical Trial Toxicity:
| No</boolean> | C1CCN(CC1)C(=O)C2=CC3=NON=C3C=C2 | random | 0 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure.
You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well.
Examples:
Target Molecule (Smiles): CCc1c(c(nc(n1)N)N)c2ccc(cc2)Cl
Clinical Trial Toxicity:
| <boolean>Yes | CCc1c(c(nc(n1)N)N)c2ccc(cc2)Cl | random | 0 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure.
You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well.
Examples:
Target Molecule (Smiles): C=CC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)/C(=N\OCC(=O)[O-])/c3csc(n3)N)SC1)C(=O)[O-]
Clinical Trial Toxicity:
| <boolean>Yes | C=CC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)/C(=N\OCC(=O)[O-])/c3csc(n3)N)SC1)C(=O)[O-] | random | 0 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure.
You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well.
Examples:
Target Molecule (Smiles): COC(=O)[C@H](c1ccccc1)[C@H]2CCCC[NH2+]2
Clinical Trial Toxicity:
| <boolean>Yes | COC(=O)[C@H](c1ccccc1)[C@H]2CCCC[NH2+]2 | random | 0 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure.
You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well.
Examples:
Target Molecule (Smiles): c1ccc(cc1)C2C[C@H]2[NH3+]
Clinical Trial Toxicity:
| <boolean>Yes | c1ccc(cc1)C2C[C@H]2[NH3+] | random | 0 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure.
You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well.
Examples:
Target Molecule (Smiles): C(OC(C(F)(F)F)C(F)(F)F)F
Clinical Trial Toxicity:
| <boolean>Yes | C(OC(C(F)(F)F)C(F)(F)F)F | random | 0 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure.
You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well.
Examples:
Target Molecule (Smiles): CCCSc1ccc2c(c1)nc([nH]2)NC(=O)OC
Clinical Trial Toxicity:
| <boolean>Yes | CCCSc1ccc2c(c1)nc([nH]2)NC(=O)OC | random | 0 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure.
You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well.
Examples:
Target Molecule (Smiles): C(C(C(=O)[O-])S)(C(=O)[O-])S
Clinical Trial Toxicity:
| <boolean>Yes | C(C(C(=O)[O-])S)(C(=O)[O-])S | random | 0 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure.
You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well.
Examples:
Target Molecule (Smiles): Cc1ccc(cc1)/C(=C\C[NH+]2CCCC2)/c3ccccn3
Clinical Trial Toxicity:
| <boolean>Yes | Cc1ccc(cc1)/C(=C\C[NH+]2CCCC2)/c3ccccn3 | random | 0 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure.
You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well.
Examples:
Target Molecule (Smiles): CCCCc1c(=O)n(n(c1=O)c2ccc(cc2)O)c3ccccc3
Clinical Trial Toxicity:
| <boolean>Yes | CCCCc1c(=O)n(n(c1=O)c2ccc(cc2)O)c3ccccc3 | random | 0 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure.
You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well.
Examples:
Target Molecule (Smiles): CC(C)(C)[NH2+]C[C@@H](c1ccc(c(c1)CO)O)O
Clinical Trial Toxicity:
| <boolean>Yes | CC(C)(C)[NH2+]C[C@@H](c1ccc(c(c1)CO)O)O | random | 0 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure.
You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well.
Examples:
Target Molecule (Smiles): C[C@]12CCC(=O)C=C1[C@H](C[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3C[C@@H]5[C@]4(OC(O5)(C)C)C(=O)CO)C)O)F
Clinical Trial Toxicity:
| <boolean>Yes | C[C@]12CCC(=O)C=C1[C@H](C[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3C[C@@H]5[C@]4(OC(O5)(C)C)C(=O)CO)C)O)F | random | 0 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure.
You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well.
Examples:
Target Molecule (Smiles): C[NH+](C)CC(c1ccc(cc1)O)C2(CCCCC2)O
Clinical Trial Toxicity:
| <boolean>Yes | C[NH+](C)CC(c1ccc(cc1)O)C2(CCCCC2)O | random | 0 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure.
You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well.
Examples:
Target Molecule (Smiles): C(CC(=O)[O-])CO
Clinical Trial Toxicity:
| <boolean>Yes | C(CC(=O)[O-])CO | random | 0 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure.
You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well.
Examples:
Target Molecule (Smiles): C1CCC2(CC1)OCC(O2)C[NH+]=C(N)N
Clinical Trial Toxicity:
| <boolean>Yes | C1CCC2(CC1)OCC(O2)C[NH+]=C(N)N | random | 0 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure.
You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well.
Examples:
Target Molecule (Smiles): C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](CCC3=C)O)C
Clinical Trial Toxicity:
| <boolean>Yes | C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](CCC3=C)O)C | random | 0 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure.
You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well.
Examples:
Target Molecule (Smiles): CCC[NH+]1C[C@@H](C[C@H]2[C@H]1Cc3c[nH]c4c3c2ccc4)CSC
Clinical Trial Toxicity:
| <boolean>Yes | CCC[NH+]1C[C@@H](C[C@H]2[C@H]1Cc3c[nH]c4c3c2ccc4)CSC | random | 0 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure.
You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well.
Examples:
Target Molecule (Smiles): c1ccc(c(c1)C2=NCC(=O)Nc3c2cc(cc3)[N+](=O)[O-])Cl
Clinical Trial Toxicity:
| <boolean>Yes | c1ccc(c(c1)C2=NCC(=O)Nc3c2cc(cc3)[N+](=O)[O-])Cl | random | 0 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure.
You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well.
Examples:
Target Molecule (Smiles): CC(C)[NH2+]CCCC1(c2ccccc2-c3c1cccc3)C(=O)N
Clinical Trial Toxicity:
| <boolean>Yes | CC(C)[NH2+]CCCC1(c2ccccc2-c3c1cccc3)C(=O)N | random | 0 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure.
You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well.
Examples:
Target Molecule (Smiles): C[N+]1(CCCC1)CC2=C(N3[C@@H]([C@@H](C3=O)NC(=O)/C(=N\OC)/c4csc(n4)N)SC2)C(=O)[O-]
Clinical Trial Toxicity:
| <boolean>Yes | C[N+]1(CCCC1)CC2=C(N3[C@@H]([C@@H](C3=O)NC(=O)/C(=N\OC)/c4csc(n4)N)SC2)C(=O)[O-] | random | 0 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure.
You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well.
Examples:
Target Molecule (Smiles): CC[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CCC4=C/C(=N/O)/CC[C@H]34
Clinical Trial Toxicity:
| <boolean>Yes | CC[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CCC4=C/C(=N/O)/CC[C@H]34 | random | 0 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure.
You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well.
Examples:
Target Molecule (Smiles): CC(C)[N+](C)(CCC(c1ccccc1)(c2ccccc2)C(=O)N)C(C)C
Clinical Trial Toxicity:
| <boolean>Yes | CC(C)[N+](C)(CCC(c1ccccc1)(c2ccccc2)C(=O)N)C(C)C | random | 0 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure.
You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well.
Examples:
Target Molecule (Smiles): c1nc2c(nc(nc2n1[C@H]3[C@H]([C@@H]([C@H](O3)COP(=O)([O-])[O-])O)O)F)N
Clinical Trial Toxicity:
| <boolean>Yes | c1nc2c(nc(nc2n1[C@H]3[C@H]([C@@H]([C@H](O3)COP(=O)([O-])[O-])O)O)F)N | random | 0 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure.
You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well.
Examples:
Target Molecule (Smiles): C[C@@H]1CC[C@H]2C[C@@H](/C(=C/C=C/C=C\\[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)OCCO)C)/C)O)OC)C)C)/C)OC
Clinical Trial Toxicity:
| <boolean>Yes | C[C@@H]1CC[C@H]2C[C@@H](/C(=C/C=C/C=C\\[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)OCCO)C)/C)O)OC)C)C)/C)OC | random | 0 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure.
You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well.
Examples:
Target Molecule (Smiles): CCC(=O)N(c1ccccc1)C2(CC[NH+](CC2)CCc3cccs3)COC
Clinical Trial Toxicity:
| <boolean>Yes | CCC(=O)N(c1ccccc1)C2(CC[NH+](CC2)CCc3cccs3)COC | random | 0 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure.
You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well.
Examples:
Target Molecule (Smiles): CC1=C(C(=CC=C1)C)N(CC(=O)NC2=CC=C(C=C2)C3=NOC=N3)C(=O)C4CCS(=O)(=O)CC4
Clinical Trial Toxicity:
| No</boolean> | CC1=C(C(=CC=C1)C)N(CC(=O)NC2=CC=C(C=C2)C3=NOC=N3)C(=O)C4CCS(=O)(=O)CC4 | random | 0 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure.
You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well.
Examples:
Target Molecule (Smiles): CCCCCCC[NH+](CC)CCCC(c1ccc(cc1)NS(=O)(=O)C)O
Clinical Trial Toxicity:
| <boolean>Yes | CCCCCCC[NH+](CC)CCCC(c1ccc(cc1)NS(=O)(=O)C)O | random | 0 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure.
You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well.
Examples:
Target Molecule (Smiles): CC(C)C[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)NNC(=O)N)NC(=O)[C@@H](COC(C)(C)C)NC(=O)[C@H](CC2=CC=C(C=C2)O)NC(=O)[C@H](CO)NC(=O)[C@H](CC3=CNC4=CC=CC=C43)NC(=O)[C@H](CC5=CN=CN5)NC(=O)[C@@H]6CCC(=O)N6
Clinical Trial Toxicity:
| No</boolean> | CC(C)C[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)NNC(=O)N)NC(=O)[C@@H](COC(C)(C)C)NC(=O)[C@H](CC2=CC=C(C=C2)O)NC(=O)[C@H](CO)NC(=O)[C@H](CC3=CNC4=CC=CC=C43)NC(=O)[C@H](CC5=CN=CN5)NC(=O)[C@@H]6CCC(=O)N6 | random | 0 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure.
You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well.
Examples:
Target Molecule (Smiles): CC(=O)O[C@@H]1[C@@H](Sc2ccccc2N(C1=O)CC[NH+](C)C)c3ccc(cc3)OC
Clinical Trial Toxicity:
| <boolean>Yes | CC(=O)O[C@@H]1[C@@H](Sc2ccccc2N(C1=O)CC[NH+](C)C)c3ccc(cc3)OC | random | 0 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure.
You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well.
Examples:
Target Molecule (Smiles): CCCC(C)C1(C(=O)NC(=[NH+]C1=O)S)CC=C
Clinical Trial Toxicity:
| <boolean>Yes | CCCC(C)C1(C(=O)NC(=[NH+]C1=O)S)CC=C | random | 0 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure.
You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well.
Examples:
Target Molecule (Smiles): Cc1cc2=C(Nc3ccccc3N=c2s1)N4CC[NH+](CC4)C
Clinical Trial Toxicity:
| <boolean>Yes | Cc1cc2=C(Nc3ccccc3N=c2s1)N4CC[NH+](CC4)C | random | 0 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure.
You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well.
Examples:
Target Molecule (Smiles): CC(Cc1ccccc1)[NH+](C)Cc2ccccc2
Clinical Trial Toxicity:
| <boolean>Yes | CC(Cc1ccccc1)[NH+](C)Cc2ccccc2 | random | 0 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure.
You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well.
Examples:
Target Molecule (Smiles): c1c(c(=O)[nH]c(=O)[nH]1)N(CCCl)CCCl
Clinical Trial Toxicity:
| <boolean>Yes | c1c(c(=O)[nH]c(=O)[nH]1)N(CCCl)CCCl | random | 0 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure.
You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well.
Examples:
Target Molecule (Smiles): C1=CC(=CC=C1CCC2=CNC3=C2C(=O)N=C(N3)N)C(=O)N[C@@H](CCC(=O)O)C(=O)O
Clinical Trial Toxicity:
| No</boolean> | C1=CC(=CC=C1CCC2=CNC3=C2C(=O)N=C(N3)N)C(=O)N[C@@H](CCC(=O)O)C(=O)O | random | 0 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure.
You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well.
Examples:
Target Molecule (Smiles): c1c2c(c(c(c1F)N3CCCC[C@H](C3)[NH3+])Cl)n(cc(c2=O)C(=O)[O-])C4CC4
Clinical Trial Toxicity:
| <boolean>Yes | c1c2c(c(c(c1F)N3CCCC[C@H](C3)[NH3+])Cl)n(cc(c2=O)C(=O)[O-])C4CC4 | random | 0 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure.
You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well.
Examples:
Target Molecule (Smiles): c1cc(ccc1c2c(c3ccc(cc3s2)O)C(=O)c4ccc(cc4)OCC[NH+]5CCCCC5)O
Clinical Trial Toxicity:
| <boolean>Yes | c1cc(ccc1c2c(c3ccc(cc3s2)O)C(=O)c4ccc(cc4)OCC[NH+]5CCCCC5)O | random | 0 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure.
You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well.
Examples:
Target Molecule (Smiles): C[C@@H]1CCC2C[C@@H](/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)OC(=O)C(C)(CO)CO)C)/C)O)OC)C)C)/C)OC
Clinical Trial Toxicity:
| <boolean>Yes | C[C@@H]1CCC2C[C@@H](/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)OC(=O)C(C)(CO)CO)C)/C)O)OC)C)C)/C)OC | random | 0 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure.
You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well.
Examples:
Target Molecule (Smiles): c1c[nH+]ccc1N
Clinical Trial Toxicity:
| <boolean>Yes | c1c[nH+]ccc1N | random | 0 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure.
You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well.
Examples:
Target Molecule (Smiles): CC/C(=C(\c1ccccc1)/c2ccc(cc2)OCC[NH+](C)C)/c3ccccc3
Clinical Trial Toxicity:
| <boolean>Yes | CC/C(=C(\c1ccccc1)/c2ccc(cc2)OCC[NH+](C)C)/c3ccccc3 | random | 0 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure.
You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well.
Examples:
Target Molecule (Smiles): CCCCCCCCCCCCCCCC(=O)O[C@@H]1CCCn2c1nc(c(c2=O)CC[NH+]3CCC(CC3)c4c5ccc(cc5on4)F)C
Clinical Trial Toxicity:
| <boolean>Yes | CCCCCCCCCCCCCCCC(=O)O[C@@H]1CCCn2c1nc(c(c2=O)CC[NH+]3CCC(CC3)c4c5ccc(cc5on4)F)C | random | 0 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure.
You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well.
Examples:
Target Molecule (Smiles): CC1=CC=C(C=C1)C2=CC(=NN2C3=CC=C(C=C3)S(=O)(=O)N)C(F)(F)F
Clinical Trial Toxicity:
| <boolean>Yes | CC1=CC=C(C=C1)C2=CC(=NN2C3=CC=C(C=C3)S(=O)(=O)N)C(F)(F)F | random | 0 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure.
You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well.
Examples:
Target Molecule (Smiles): CC(Cc1ccc2c(c1)OCO2)[NH2+]CC(c3ccc(c(c3)O)O)O
Clinical Trial Toxicity:
| <boolean>Yes | CC(Cc1ccc2c(c1)OCO2)[NH2+]CC(c3ccc(c(c3)O)O)O | random | 0 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure.
You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well.
Examples:
Target Molecule (Smiles): CCOC(=O)c1cncn1C(C)c2ccccc2
Clinical Trial Toxicity:
| <boolean>Yes | CCOC(=O)c1cncn1C(C)c2ccccc2 | random | 0 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure.
You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well.
Examples:
Target Molecule (Smiles): c1cc(ccc1C(=O)NCCC(=O)[O-])N/N=C\2/C=CC(=O)C(=C2)C(=O)[O-]
Clinical Trial Toxicity:
| <boolean>Yes | c1cc(ccc1C(=O)NCCC(=O)[O-])N/N=C\2/C=CC(=O)C(=C2)C(=O)[O-] | random | 0 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure.
You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well.
Examples:
Target Molecule (Smiles): CC(C)[NH2+]CC(COc1ccc(cc1)COCCOC(C)C)O
Clinical Trial Toxicity:
| <boolean>Yes | CC(C)[NH2+]CC(COc1ccc(cc1)COCCOC(C)C)O | random | 0 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure.
You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well.
Examples:
Target Molecule (Smiles): Cc1cc(n(c(=O)c1)[O-])C2CCCCC2
Clinical Trial Toxicity:
| <boolean>Yes | Cc1cc(n(c(=O)c1)[O-])C2CCCCC2 | random | 0 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure.
You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well.
Examples:
Target Molecule (Smiles): CC1=C(C(C(=C(N1)C)C(=O)OCC[NH+](C)Cc2ccccc2)c3cccc(c3)[N+](=O)[O-])C(=O)OC
Clinical Trial Toxicity:
| <boolean>Yes | CC1=C(C(C(=C(N1)C)C(=O)OCC[NH+](C)Cc2ccccc2)c3cccc(c3)[N+](=O)[O-])C(=O)OC | random | 0 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure.
You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well.
Examples:
Target Molecule (Smiles): CCCCC[C@@H](/C=C/[C@H]1[C@@H](CC(=O)[C@@H]1CCCCCCC(=O)[O-])O)O
Clinical Trial Toxicity:
| <boolean>Yes | CCCCC[C@@H](/C=C/[C@H]1[C@@H](CC(=O)[C@@H]1CCCCCCC(=O)[O-])O)O | random | 0 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure.
You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well.
Examples:
Target Molecule (Smiles): c1ccc(cc1)C(=O)OOC(=O)c2ccccc2
Clinical Trial Toxicity:
| <boolean>Yes | c1ccc(cc1)C(=O)OOC(=O)c2ccccc2 | random | 0 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure.
You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well.
Examples:
Target Molecule (Smiles): C[C@@H](CN1CC(=O)NC(=O)C1)[NH+]2CC(=O)NC(=O)C2
Clinical Trial Toxicity:
| <boolean>Yes | C[C@@H](CN1CC(=O)NC(=O)C1)[NH+]2CC(=O)NC(=O)C2 | random | 0 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure.
You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well.
Examples:
Target Molecule (Smiles): C[NH+]1CCc2cccc-3c2[C@H]1Cc4c3c(c(cc4)O)O
Clinical Trial Toxicity:
| <boolean>Yes | C[NH+]1CCc2cccc-3c2[C@H]1Cc4c3c(c(cc4)O)O | random | 0 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure.
You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well.
Examples:
Target Molecule (Smiles): O[Si](=O)O
Clinical Trial Toxicity:
| <boolean>Yes | O[Si](=O)O | random | 0 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure.
You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well.
Examples:
Target Molecule (Smiles): CCCSc1nc(c2c(n1)n(nn2)[C@@H]3C[C@@H]([C@H]([C@H]3O)O)OCCO)N[C@@H]4C[C@H]4c5ccc(c(c5)F)F
Clinical Trial Toxicity:
| <boolean>Yes | CCCSc1nc(c2c(n1)n(nn2)[C@@H]3C[C@@H]([C@H]([C@H]3O)O)OCCO)N[C@@H]4C[C@H]4c5ccc(c(c5)F)F | random | 0 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure.
You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well.
Examples:
Target Molecule (Smiles): C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](CCC3=C)O)C
Clinical Trial Toxicity:
| <boolean>Yes | C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](CCC3=C)O)C | random | 0 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure.
You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well.
Examples:
Target Molecule (Smiles): C1CN(CCN1C(=O)CCBr)C(=O)CCBr
Clinical Trial Toxicity:
| <boolean>Yes | C1CN(CCN1C(=O)CCBr)C(=O)CCBr | random | 0 | smiles | |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule would be toxic in clinical trials (Yes) or not toxic (No). Consider all molecular properties provided, especially the potential toxicity indicators, electronic configurations, and overall molecular structure.
You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well.
Examples:
Target Molecule (Smiles): CCCCCCCCCCCCCCCCO
Clinical Trial Toxicity:
| <boolean>Yes | CCCCCCCCCCCCCCCCO | random | 0 | smiles |
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