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 |
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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)OC(C)C)c2cccc(c2)[N+](=O)[O-])C(=O)OCCOC
Clinical Trial Toxicity:
| <boolean>Yes | CC1=C(C(C(=C(N1)C)C(=O)OC(C)C)c2cccc(c2)[N+](=O)[O-])C(=O)OCCOC | 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)S(=O)(=O)[N-]C(=O)N[NH+]2CCCCCC2
Clinical Trial Toxicity:
| <boolean>Yes | Cc1ccc(cc1)S(=O)(=O)[N-]C(=O)N[NH+]2CCCCCC2 | 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]([C@@H]1C(=C(C(=O)O1)O)[O-])O)O
Clinical Trial Toxicity:
| <boolean>Yes | C([C@@H]([C@@H]1C(=C(C(=O)O1)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): CCOC(=O)/C=C(\C)/C=C/C=C(\C)/C=C/c1c(cc(c(c1C)C)OC)C
Clinical Trial Toxicity:
| <boolean>Yes | CCOC(=O)/C=C(\C)/C=C/C=C(\C)/C=C/c1c(cc(c(c1C)C)OC)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(ccc1C2C[NH2+]CCc3c2cc(c(c3Cl)O)O)O
Clinical Trial Toxicity:
| <boolean>Yes | c1cc(ccc1C2C[NH2+]CCc3c2cc(c(c3Cl)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): CC(C)Cc1ccc(cc1)C(C)C(=O)[O-]
Clinical Trial Toxicity:
| <boolean>Yes | CC(C)Cc1ccc(cc1)C(C)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\1=C(c2cc(ccc2/C1=C\c3ccc(cc3)S(=O)C)F)CC(=O)[O-]
Clinical Trial Toxicity:
| <boolean>Yes | CC\1=C(c2cc(ccc2/C1=C\c3ccc(cc3)S(=O)C)F)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): Cc1cccc(c1OCC(=O)N[C@@H](Cc2ccccc2)[C@H](C[C@H](Cc3ccccc3)NC(=O)[C@H](C(C)C)N4CCCNC4=O)O)C
Clinical Trial Toxicity:
| <boolean>Yes | Cc1cccc(c1OCC(=O)N[C@@H](Cc2ccccc2)[C@H](C[C@H](Cc3ccccc3)NC(=O)[C@H](C(C)C)N4CCCNC4=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): c1nc(c2c(n1)n(cn2)[C@H]3[C@H]([C@@H]([C@H](O3)CO)O)O)N
Clinical Trial Toxicity:
| <boolean>Yes | c1nc(c2c(n1)n(cn2)[C@H]3[C@H]([C@@H]([C@H](O3)CO)O)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): c1cc2c(cc1)C(=O)C(=C(C2=O)[C@H]3CC[C@@H](CC3)c4ccc(cc4)Cl)[O-]
Clinical Trial Toxicity:
| <boolean>Yes | c1cc2c(cc1)C(=O)C(=C(C2=O)[C@H]3CC[C@@H](CC3)c4ccc(cc4)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(C)(C)c1ccc(cc1)S(=O)(=O)[N-]c2c(c(nc(n2)c3ncccn3)OCCO)Oc4ccccc4OC
Clinical Trial Toxicity:
| <boolean>Yes | CC(C)(C)c1ccc(cc1)S(=O)(=O)[N-]c2c(c(nc(n2)c3ncccn3)OCCO)Oc4ccccc4OC | 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(=S)N(c3c2cc(cc3)Cl)CC(F)(F)F)F
Clinical Trial Toxicity:
| <boolean>Yes | c1ccc(c(c1)C2=NCC(=S)N(c3c2cc(cc3)Cl)CC(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): C[NH+]1CCN(CC1)C2=[NH+]c3cc(ccc3Nc4c2cccc4)Cl
Clinical Trial Toxicity:
| <boolean>Yes | C[NH+]1CCN(CC1)C2=[NH+]c3cc(ccc3Nc4c2cccc4)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[C@@H]1CCN([C@H](C1)C(=O)[O-])C(=O)[C@H](CCC[NH+]=C(N)N)NS(=O)(=O)c2cccc3c2NC[C@@H](C3)C
Clinical Trial Toxicity:
| <boolean>Yes | C[C@@H]1CCN([C@H](C1)C(=O)[O-])C(=O)[C@H](CCC[NH+]=C(N)N)NS(=O)(=O)c2cccc3c2NC[C@@H](C3)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/C=C/C1=C(N2[C@@H]([C@@H](C2=O)NC(=O)[C@@H](c3ccc(cc3)O)[NH3+])SC1)C(=O)[O-]
Clinical Trial Toxicity:
| <boolean>Yes | C/C=C/C1=C(N2[C@@H]([C@@H](C2=O)NC(=O)[C@@H](c3ccc(cc3)O)[NH3+])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(CO)(CO)[NH3+])O
Clinical Trial Toxicity:
| <boolean>Yes | C(C(CO)(CO)[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): c1cc(c(cc1C(F)(F)F)[N+](=O)[O-])C(=O)[C-]2C(=O)CCCC2=O
Clinical Trial Toxicity:
| <boolean>Yes | c1cc(c(cc1C(F)(F)F)[N+](=O)[O-])C(=O)[C-]2C(=O)CCCC2=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): 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): c1c2=N/C(=C/3\C=CON3)/N=c2c4c(n1)CCOC4
Clinical Trial Toxicity:
| <boolean>Yes | c1c2=N/C(=C/3\C=CON3)/N=c2c4c(n1)CCOC4 | 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+]1CCN(CC1)CC/C=C\2/c3ccccc3Sc4c2cc(cc4)S(=O)(=O)N(C)C
Clinical Trial Toxicity:
| <boolean>Yes | C[NH+]1CCN(CC1)CC/C=C\2/c3ccccc3Sc4c2cc(cc4)S(=O)(=O)N(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): C[C@@H](C1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)OCCCCO[N+](=O)[O-]
Clinical Trial Toxicity:
| No</boolean> | C[C@@H](C1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)OCCCCO[N+](=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): C1=CC=C2C(=C1)C(=NN=C2NC3=CC=C(C=C3)Cl)CC4=CC=NC=C4
Clinical Trial Toxicity:
| No</boolean> | C1=CC=C2C(=C1)C(=NN=C2NC3=CC=C(C=C3)Cl)CC4=CC=NC=C4 | 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@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](c3ccccc3)[NH3+])C(=O)[O-])C
Clinical Trial Toxicity:
| <boolean>Yes | CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](c3ccccc3)[NH3+])C(=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): Cc1c(cccc1O)C(=O)N[C@@H](CSc2ccccc2)[C@@H](C[NH+]3C[C@H]4CCCC[C@H]4C[C@H]3C(=O)NC(C)(C)C)O
Clinical Trial Toxicity:
| <boolean>Yes | Cc1c(cccc1O)C(=O)N[C@@H](CSc2ccccc2)[C@@H](C[NH+]3C[C@H]4CCCC[C@H]4C[C@H]3C(=O)NC(C)(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): C[NH+]1CCC(C1)CN2c3ccccc3Sc4c2cccc4
Clinical Trial Toxicity:
| <boolean>Yes | C[NH+]1CCC(C1)CN2c3ccccc3Sc4c2cccc4 | 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+](C)(C)CCOC(=O)N
Clinical Trial Toxicity:
| <boolean>Yes | C[N+](C)(C)CCOC(=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): CCCCc1c(c2cc(ccc2o1)NS(=O)(=O)C)C(=O)c3ccc(cc3)OCCC[NH+](CCCC)CCCC
Clinical Trial Toxicity:
| <boolean>Yes | CCCCc1c(c2cc(ccc2o1)NS(=O)(=O)C)C(=O)c3ccc(cc3)OCCC[NH+](CCCC)CCCC | 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): Cl[Mn]Cl
Clinical Trial Toxicity:
| <boolean>Yes | Cl[Mn]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): Cc1c(c2c3c4c1O[C@@](C4=O)(O/C=C/[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]([C@H](/C=C/C=C(\C(=O)Nc(c2O)c(c3O)/C=N/N5CC[NH+](CC5)C)/C)C)O)C)O)C)OC(=O)C)C)OC)C)O
Clinical Trial Toxicity:
| <boolean>Yes | Cc1c(c2c3c4c1O[C@@](C4=O)(O/C=C/[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]([C@H](/C=C/C=C(\C(=O)Nc(c2O)c(c3O)/C=N/N5CC[NH+](CC5)C)/C)C)O)C)O)C)OC(=O)C)C)OC)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): c1ccc(cc1)CCCCOCCCCCC[NH2+]CC(c2ccc(c(c2)CO)O)O
Clinical Trial Toxicity:
| <boolean>Yes | c1ccc(cc1)CCCCOCCCCCC[NH2+]CC(c2ccc(c(c2)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@@H](C(=O)N[C@@H](C)C(=O)NC1[C@H]2[C@@H]1CN(C2)c3c(cc4c(=O)c(cn(c4n3)c5ccc(cc5F)F)C(=O)[O-])F)[NH3+]
Clinical Trial Toxicity:
| <boolean>Yes | C[C@@H](C(=O)N[C@@H](C)C(=O)NC1[C@H]2[C@@H]1CN(C2)c3c(cc4c(=O)c(cn(c4n3)c5ccc(cc5F)F)C(=O)[O-])F)[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)CC(C)(C)c1ccc(cc1)O
Clinical Trial Toxicity:
| <boolean>Yes | CC(C)(C)CC(C)(C)c1ccc(cc1)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]1C(=O)N2CCC[C@H]2[C@]3(N1C(=O)[C@](O3)(C(C)C)NC(=O)[C@H]4C[NH+]([C@@H]5Cc6c7c(cccc7[nH]c6Br)C5=C4)C)O
Clinical Trial Toxicity:
| <boolean>Yes | CC(C)C[C@H]1C(=O)N2CCC[C@H]2[C@]3(N1C(=O)[C@](O3)(C(C)C)NC(=O)[C@H]4C[NH+]([C@@H]5Cc6c7c(cccc7[nH]c6Br)C5=C4)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): 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): Cc1c2c(c(c(c1OC)C/C=C(\C)/CCC(=O)[O-])[O-])C(=O)OC2
Clinical Trial Toxicity:
| <boolean>Yes | Cc1c2c(c(c(c1OC)C/C=C(\C)/CCC(=O)[O-])[O-])C(=O)OC2 | 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]1CCN([C@H](C1)C(=O)[O-])C(=O)[C@H](CCC[NH+]=C(N)N)NS(=O)(=O)c2cccc3c2NC[C@@H](C3)C
Clinical Trial Toxicity:
| <boolean>Yes | C[C@@H]1CCN([C@H](C1)C(=O)[O-])C(=O)[C@H](CCC[NH+]=C(N)N)NS(=O)(=O)c2cccc3c2NC[C@@H](C3)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): COc1ccnc(c1OC)CS(=O)c2[nH]c3cc(ccc3n2)OC(F)F
Clinical Trial Toxicity:
| <boolean>Yes | COc1ccnc(c1OC)CS(=O)c2[nH]c3cc(ccc3n2)OC(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[NH2+][C@@H]1CCc2c(c3cc(ccc3[nH]2)C(=O)N)C1
Clinical Trial Toxicity:
| <boolean>Yes | C[NH2+][C@@H]1CCc2c(c3cc(ccc3[nH]2)C(=O)N)C1 | 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): CNC1=[NH+]c2ccc(cc2C(=[N+](C1)[O-])c3ccccc3)Cl
Clinical Trial Toxicity:
| <boolean>Yes | CNC1=[NH+]c2ccc(cc2C(=[N+](C1)[O-])c3ccccc3)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)[N+]1([C@@H]2CC[C@@H]1CC(C2)OC(=O)C(CO)c3ccccc3)C
Clinical Trial Toxicity:
| <boolean>Yes | CC(C)[N+]1([C@@H]2CC[C@@H]1CC(C2)OC(=O)C(CO)c3ccccc3)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(C[C@@H]1C(=O)N/C(=C\CCCCSC[C@@H](C(=O)[O-])[NH3+])/C(=O)[O-])C
Clinical Trial Toxicity:
| <boolean>Yes | CC1(C[C@@H]1C(=O)N/C(=C\CCCCSC[C@@H](C(=O)[O-])[NH3+])/C(=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): CC(C)(C(=O)[O-])O/N=C(/c1csc(n1)N)\C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)C[n+]4ccccc4)C(=O)[O-]
Clinical Trial Toxicity:
| <boolean>Yes | CC(C)(C(=O)[O-])O/N=C(/c1csc(n1)N)\C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)C[n+]4ccccc4)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]1[C@@]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H]([C@@H]([C@H]2O)O)NC(=[NH2+])N)O)NC(=[NH2+])N)O[C@H]3[C@H]([C@@H]([C@H]([C@@H](O3)CO)O)O)[NH2+]C)(C=O)O
Clinical Trial Toxicity:
| <boolean>Yes | C[C@H]1[C@@]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H]([C@@H]([C@H]2O)O)NC(=[NH2+])N)O)NC(=[NH2+])N)O[C@H]3[C@H]([C@@H]([C@H]([C@@H](O3)CO)O)O)[NH2+]C)(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): 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)O[C@H]1[C@H](C[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(C[C@@H]([C@H](C4)O)[NH+]5CCOCC5)C)C)[N+]6(CCCC6)CC=C
Clinical Trial Toxicity:
| <boolean>Yes | CC(=O)O[C@H]1[C@H](C[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(C[C@@H]([C@H](C4)O)[NH+]5CCOCC5)C)C)[N+]6(CCCC6)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): CCCS(=O)(=O)NC1=C(C(=C(C=C1)F)C(=O)C2=CNC3=NC=C(C=C23)C4=CC=C(C=C4)Cl)F
Clinical Trial Toxicity:
| No</boolean> | CCCS(=O)(=O)NC1=C(C(=C(C=C1)F)C(=O)C2=CNC3=NC=C(C=C23)C4=CC=C(C=C4)Cl)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(C)Cn1cnc2c1c3ccccc3nc2N
Clinical Trial Toxicity:
| <boolean>Yes | CC(C)Cn1cnc2c1c3ccccc3nc2N | 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)n(cn2)[C@@H]3[C@@H]([C@@H]([C@H](O3)CO)OP(=O)([O-])O[C@@H](C)CNC(=O)CC[C@@]4([C@H](C5[C@]6([C@@]([C@@H](C(=N6)/C(=C\7/[C@@]([C@@H](/C(=C/C8=N/C(=C(\C4=N5)/C)/[C@H](C8(C)C)CCC(=O)N)/N7)CCC(=O)N)(C)CC(=O)N)/C)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O
Clinical Trial Toxicity:
| <boolean>Yes | Cc1cc2c(cc1C)n(cn2)[C@@H]3[C@@H]([C@@H]([C@H](O3)CO)OP(=O)([O-])O[C@@H](C)CNC(=O)CC[C@@]4([C@H](C5[C@]6([C@@]([C@@H](C(=N6)/C(=C\7/[C@@]([C@@H](/C(=C/C8=N/C(=C(\C4=N5)/C)/[C@H](C8(C)C)CCC(=O)N)/N7)CCC(=O)N)(C)CC(=O)N)/C)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)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): C[C@H](CCCC(C)C)[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)[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): CNS(=O)(=O)CCc1ccc2c(c1)c(c[nH]2)C3CC[NH+](CC3)C
Clinical Trial Toxicity:
| <boolean>Yes | CNS(=O)(=O)CCc1ccc2c(c1)c(c[nH]2)C3CC[NH+](CC3)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[C@@H]1O[C@]2(C[NH+]3CCC2CC3)CS1
Clinical Trial Toxicity:
| <boolean>Yes | C[C@@H]1O[C@]2(C[NH+]3CCC2CC3)CS1 | 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): CN1C(Nc2cc(c(cc2S1(=O)=O)S(=O)(=O)N)Cl)CCl
Clinical Trial Toxicity:
| <boolean>Yes | CN1C(Nc2cc(c(cc2S1(=O)=O)S(=O)(=O)N)Cl)CCl | 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)NCC[C@@H]1CCc2c1c3c(cc2)OCC3
Clinical Trial Toxicity:
| <boolean>Yes | CCC(=O)NCC[C@@H]1CCc2c1c3c(cc2)OCC3 | 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(Cl)(Cl)Cl)OP(=O)([O-])[O-]
Clinical Trial Toxicity:
| <boolean>Yes | C(C(Cl)(Cl)Cl)OP(=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): CC(C[NH2+]C1CCCCC1)OC(=O)c2ccccc2
Clinical Trial Toxicity:
| <boolean>Yes | CC(C[NH2+]C1CCCCC1)OC(=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@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](c3ccccc3)[NH3+])C(=O)[O-])C
Clinical Trial Toxicity:
| <boolean>Yes | CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](c3ccccc3)[NH3+])C(=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): 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): CCC(=O)NCC[C@@H]1CCc2c1c3c(cc2)OCC3
Clinical Trial Toxicity:
| <boolean>Yes | CCC(=O)NCC[C@@H]1CCc2c1c3c(cc2)OCC3 | 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)CCC=C1c2ccccc2CCc3c1cccc3
Clinical Trial Toxicity:
| <boolean>Yes | C[NH+](C)CCC=C1c2ccccc2CCc3c1cccc3 | 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(ccc1[C@@H]2[C@H](C(=O)N2c3ccc(cc3)F)CC[C@@H](c4ccc(cc4)F)O)O
Clinical Trial Toxicity:
| <boolean>Yes | c1cc(ccc1[C@@H]2[C@H](C(=O)N2c3ccc(cc3)F)CC[C@@H](c4ccc(cc4)F)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): Cc1c(c2c(c(c1O)C)CC[C@@](O2)(C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C
Clinical Trial Toxicity:
| <boolean>Yes | Cc1c(c2c(c(c1O)C)CC[C@@](O2)(C)CCC[C@H](C)CCC[C@H](C)CCCC(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): C(CN(CC(=O)[O-])CC(=O)[O-])[NH+](CC(=O)[O-])CC(=O)[O-]
Clinical Trial Toxicity:
| <boolean>Yes | C(CN(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): c1cc(ccc1C[NH3+])S(=O)(=O)N
Clinical Trial Toxicity:
| <boolean>Yes | c1cc(ccc1C[NH3+])S(=O)(=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): CC(CN1c2ccccc2Sc3c1cccc3)[NH+](C)C
Clinical Trial Toxicity:
| <boolean>Yes | CC(CN1c2ccccc2Sc3c1cccc3)[NH+](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): C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C(=O)Nc4cc(ccc4C(F)(F)F)C(F)(F)F)CC[C@@H]5[C@@]3(C=CC(=O)N5)C
Clinical Trial Toxicity:
| <boolean>Yes | C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C(=O)Nc4cc(ccc4C(F)(F)F)C(F)(F)F)CC[C@@H]5[C@@]3(C=CC(=O)N5)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(=O)Oc1cc2c(s1)CC[NH+](C2)C(c3ccccc3F)C(=O)C4CC4
Clinical Trial Toxicity:
| <boolean>Yes | CC(=O)Oc1cc2c(s1)CC[NH+](C2)C(c3ccccc3F)C(=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): c1ccc2c(c1)[nH]c(=O)n2C3CC[NH+](CC3)CCCC(c4ccc(cc4)F)c5ccc(cc5)F
Clinical Trial Toxicity:
| <boolean>Yes | c1ccc2c(c1)[nH]c(=O)n2C3CC[NH+](CC3)CCCC(c4ccc(cc4)F)c5ccc(cc5)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): [NH4][Pt]([NH4])(Cl)Cl
Clinical Trial Toxicity:
| <boolean>Yes | [NH4][Pt]([NH4])(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): C[C@](Cc1ccc(cc1)O)(C(=O)[O-])[NH3+]
Clinical Trial Toxicity:
| <boolean>Yes | C[C@](Cc1ccc(cc1)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): Cn1c2ccccc2c(n1)C(=O)NC3CC4CCCC(C3)[NH+]4C
Clinical Trial Toxicity:
| <boolean>Yes | Cn1c2ccccc2c(n1)C(=O)NC3CC4CCCC(C3)[NH+]4C | 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(c(=O)nc1N)[C@@H]2CS[C@@H](O2)CO
Clinical Trial Toxicity:
| <boolean>Yes | c1cn(c(=O)nc1N)[C@@H]2CS[C@@H](O2)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): C(C(F)(F)F)(OC(F)F)Cl
Clinical Trial Toxicity:
| <boolean>Yes | C(C(F)(F)F)(OC(F)F)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@]12CC(=C)[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CCC4=CC(=O)CC[C@H]34
Clinical Trial Toxicity:
| <boolean>Yes | CC[C@]12CC(=C)[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CCC4=CC(=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@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)OC(=O)C)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)OC(=O)C)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): CCN(C)C(=O)Oc1cccc(c1)[C@H](C)[NH+](C)C
Clinical Trial Toxicity:
| <boolean>Yes | CCN(C)C(=O)Oc1cccc(c1)[C@H](C)[NH+](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): c1ccc(cc1)C2(C(=O)NC(=O)N2)c3ccccc3
Clinical Trial Toxicity:
| <boolean>Yes | c1ccc(cc1)C2(C(=O)NC(=O)N2)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): c1cc(ccc1C[C@@H](C(=O)[O-])[NH3+])N(CCCl)CCCl
Clinical Trial Toxicity:
| <boolean>Yes | c1cc(ccc1C[C@@H](C(=O)[O-])[NH3+])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): C[C@H](CCCC(C)C)[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)[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): CNC(=O)c1cc(ccn1)Oc2ccc(cc2)NC(=O)Nc3ccc(c(c3)C(F)(F)F)Cl
Clinical Trial Toxicity:
| <boolean>Yes | CNC(=O)c1cc(ccn1)Oc2ccc(cc2)NC(=O)Nc3ccc(c(c3)C(F)(F)F)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)C(=O)Oc1ccc(cc1[C@H](CC[NH+](C(C)C)C(C)C)c2ccccc2)CO
Clinical Trial Toxicity:
| <boolean>Yes | CC(C)C(=O)Oc1ccc(cc1[C@H](CC[NH+](C(C)C)C(C)C)c2ccccc2)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): CCOC(=O)Nc1ccc(cc1N)NCc2ccc(cc2)F
Clinical Trial Toxicity:
| <boolean>Yes | CCOC(=O)Nc1ccc(cc1N)NCc2ccc(cc2)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): CC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)[C@@H](C3=CCC=CC3)[NH3+])SC1)C(=O)[O-]
Clinical Trial Toxicity:
| <boolean>Yes | CC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)[C@@H](C3=CCC=CC3)[NH3+])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): CS(=O)C
Clinical Trial Toxicity:
| <boolean>Yes | CS(=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): C[C@@H]1C[C@H]2[C@@H]3C[C@@H](C4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)SCF)OC(=O)c5ccco5)C)O)F)C)F
Clinical Trial Toxicity:
| <boolean>Yes | C[C@@H]1C[C@H]2[C@@H]3C[C@@H](C4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)SCF)OC(=O)c5ccco5)C)O)F)C)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+]1CCC[C@H]1c2cccnc2
Clinical Trial Toxicity:
| <boolean>Yes | C[NH+]1CCC[C@H]1c2cccnc2 | 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(C1)(C(=O)O)C(=O)O.N.N.[Pt]
Clinical Trial Toxicity:
| No</boolean> | C1CC(C1)(C(=O)O)C(=O)O.N.N.[Pt] | 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): Cc1ncc(n1CCO)[N+](=O)[O-]
Clinical Trial Toxicity:
| <boolean>Yes | Cc1ncc(n1CCO)[N+](=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): 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): CCc1cccc2c1[nH]c3c2CCOC3(CC)CC(=O)[O-]
Clinical Trial Toxicity:
| <boolean>Yes | CCc1cccc2c1[nH]c3c2CCOC3(CC)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): C1CC[C@H]([C@@H](C1)[NH3+])N
Clinical Trial Toxicity:
| <boolean>Yes | C1CC[C@H]([C@@H](C1)[NH3+])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): Cc1ccn2c(c1)nc3c2c4c(c5c3c6c(c(c5O)C)O[C@@](C6=O)(O/C=C/[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]([C@H](/C=C/C=C(\C(=O)N4)/C)C)O)C)O)C)OC(=O)C)C)OC)C)O
Clinical Trial Toxicity:
| <boolean>Yes | Cc1ccn2c(c1)nc3c2c4c(c5c3c6c(c(c5O)C)O[C@@](C6=O)(O/C=C/[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]([C@H](/C=C/C=C(\C(=O)N4)/C)C)O)C)O)C)OC(=O)C)C)OC)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): CCC(=O)O[C@@]1([C@H](C[C@@H]2[C@@]1(C[C@@H]([C@]3([C@H]2CCC4=CC(=O)C=C[C@@]43C)F)O)C)C)C(=O)CCl
Clinical Trial Toxicity:
| <boolean>Yes | CCC(=O)O[C@@]1([C@H](C[C@@H]2[C@@]1(C[C@@H]([C@]3([C@H]2CCC4=CC(=O)C=C[C@@]43C)F)O)C)C)C(=O)CCl | 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): C1CC2(C1)C(=O)O[Pt]OC2=O
Clinical Trial Toxicity:
| <boolean>Yes | C1CC2(C1)C(=O)O[Pt]OC2=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): c1ccc2c(c1)cc(c(c2Cc3c4ccccc4cc(c3O)C(=O)[O-])O)C(=O)[O-]
Clinical Trial Toxicity:
| <boolean>Yes | c1ccc2c(c1)cc(c(c2Cc3c4ccccc4cc(c3O)C(=O)[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): C[C@@H](c1c(cncn1)F)[C@](Cn2cncn2)(c3ccc(cc3F)F)O
Clinical Trial Toxicity:
| <boolean>Yes | C[C@@H](c1c(cncn1)F)[C@](Cn2cncn2)(c3ccc(cc3F)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): CCCCOc1cc(ccc1N)C(=O)OCC[NH+](CC)CC
Clinical Trial Toxicity:
| <boolean>Yes | CCCCOc1cc(ccc1N)C(=O)OCC[NH+](CC)CC | 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]([C@@H](c1ccc(cc1)O)O)[NH2+]CCc2ccc(cc2)O
Clinical Trial Toxicity:
| <boolean>Yes | C[C@@H]([C@@H](c1ccc(cc1)O)O)[NH2+]CCc2ccc(cc2)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)NO
Clinical Trial Toxicity:
| <boolean>Yes | CC(=O)NO | 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): Cc1cn(c(=O)[nH]c1=O)[C@H]2C=C[C@H](O2)CO
Clinical Trial Toxicity:
| <boolean>Yes | Cc1cn(c(=O)[nH]c1=O)[C@H]2C=C[C@H](O2)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): CN/C(=C\[N+](=O)[O-])/[NH2+]CCSCc1csc(n1)C[NH+](C)C
Clinical Trial Toxicity:
| <boolean>Yes | CN/C(=C\[N+](=O)[O-])/[NH2+]CCSCc1csc(n1)C[NH+](C)C | random | 0 | smiles |
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