Question
stringlengths 667
990
| Answer
stringclasses 2
values | TargetMolecule
stringlengths 2
325
| SampleMethod
stringclasses 1
value | SampleNum
int64 2
2
| 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 exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor.
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.
Target Molecule (Smiles): COC(=O)C(C)N(C(=O)c1ccco1)c1c(C)cccc1C
Toxic:
|
<boolean>No</boolean>
|
COC(=O)C(C)N(C(=O)c1ccco1)c1c(C)cccc1C
|
scaffold
| 2
|
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 exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor.
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.
Target Molecule (Smiles): CCCc1ccc(N)cc1
Toxic:
|
<boolean>No</boolean>
|
CCCc1ccc(N)cc1
|
scaffold
| 2
|
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 exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor.
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.
Target Molecule (Smiles): CN1[C@H]2C[C@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@H]1O[C@@H]21
Toxic:
|
<boolean>No</boolean>
|
CN1[C@H]2C[C@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@H]1O[C@@H]21
|
scaffold
| 2
|
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 exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor.
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.
Target Molecule (Smiles): CCCC1CCC(=O)CC1
Toxic:
|
<boolean>No</boolean>
|
CCCC1CCC(=O)CC1
|
scaffold
| 2
|
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 exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor.
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.
Target Molecule (Smiles): CCCCNC(=S)NCCCC
Toxic:
|
<boolean>No</boolean>
|
CCCCNC(=S)NCCCC
|
scaffold
| 2
|
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 exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor.
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.
Target Molecule (Smiles): CCN(CC)C(=O)C(C)Oc1cccc2ccccc12
Toxic:
|
<boolean>No</boolean>
|
CCN(CC)C(=O)C(C)Oc1cccc2ccccc12
|
scaffold
| 2
|
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 exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor.
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.
Target Molecule (Smiles): CC=Cc1ccc2c(c1)OCO2
Toxic:
|
<boolean>No</boolean>
|
CC=Cc1ccc2c(c1)OCO2
|
scaffold
| 2
|
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 exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor.
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.
Target Molecule (Smiles): O=C(O)CNC(=O)c1ccc([N+](=O)[O-])cc1
Toxic:
|
<boolean>No</boolean>
|
O=C(O)CNC(=O)c1ccc([N+](=O)[O-])cc1
|
scaffold
| 2
|
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 exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor.
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.
Target Molecule (Smiles): COCCOCCOC
Toxic:
|
<boolean>No</boolean>
|
COCCOCCOC
|
scaffold
| 2
|
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 exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor.
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.
Target Molecule (Smiles): O=C(O)c1ccccn1
Toxic:
|
<boolean>No</boolean>
|
O=C(O)c1ccccn1
|
scaffold
| 2
|
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 exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor.
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.
Target Molecule (Smiles): NC(=O)c1cccnc1
Toxic:
|
<boolean>No</boolean>
|
NC(=O)c1cccnc1
|
scaffold
| 2
|
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 exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor.
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.
Target Molecule (Smiles): CCCCCCC#N
Toxic:
|
<boolean>No</boolean>
|
CCCCCCC#N
|
scaffold
| 2
|
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 exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor.
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.
Target Molecule (Smiles): CCCCC(CC)C(=O)Cl
Toxic:
|
<boolean>No</boolean>
|
CCCCC(CC)C(=O)Cl
|
scaffold
| 2
|
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 exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor.
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.
Target Molecule (Smiles): CC(C)C(=O)OCCc1ccccc1
Toxic:
|
<boolean>No</boolean>
|
CC(C)C(=O)OCCc1ccccc1
|
scaffold
| 2
|
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 exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor.
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.
Target Molecule (Smiles): CC(COc1ccccc1)NC(C)C(O)c1ccc(O)cc1
Toxic:
|
<boolean>No</boolean>
|
CC(COc1ccccc1)NC(C)C(O)c1ccc(O)cc1
|
scaffold
| 2
|
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 exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor.
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.
Target Molecule (Smiles): CC[C@@H](CO)NCCN[C@@H](CC)CO
Toxic:
|
<boolean>No</boolean>
|
CC[C@@H](CO)NCCN[C@@H](CC)CO
|
scaffold
| 2
|
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 exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor.
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.
Target Molecule (Smiles): CC(C)NCC(O)c1ccc([N+](=O)[O-])cc1
Toxic:
|
<boolean>No</boolean>
|
CC(C)NCC(O)c1ccc([N+](=O)[O-])cc1
|
scaffold
| 2
|
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 exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor.
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.
Target Molecule (Smiles): O=C(Cl)c1c(Cl)cccc1Cl
Toxic:
|
<boolean>No</boolean>
|
O=C(Cl)c1c(Cl)cccc1Cl
|
scaffold
| 2
|
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 exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor.
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.
Target Molecule (Smiles): CC(C)CCCCCCc1ccc(OCCOCCO)cc1
Toxic:
|
<boolean>No</boolean>
|
CC(C)CCCCCCc1ccc(OCCOCCO)cc1
|
scaffold
| 2
|
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 exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor.
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.
Target Molecule (Smiles): Oc1ccc2ccccc2c1
Toxic:
|
<boolean>No</boolean>
|
Oc1ccc2ccccc2c1
|
scaffold
| 2
|
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 exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor.
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.
Target Molecule (Smiles): C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2O
Toxic:
|
<boolean>Yes</boolean>
|
C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2O
|
scaffold
| 2
|
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 exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor.
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.
Target Molecule (Smiles): Nc1nc(N)nc(N)n1
Toxic:
|
<boolean>No</boolean>
|
Nc1nc(N)nc(N)n1
|
scaffold
| 2
|
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 exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor.
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.
Target Molecule (Smiles): CC1=CCC(=C(C)C)CC1
Toxic:
|
<boolean>No</boolean>
|
CC1=CCC(=C(C)C)CC1
|
scaffold
| 2
|
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 exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor.
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.
Target Molecule (Smiles): OCCNCCO
Toxic:
|
<boolean>No</boolean>
|
OCCNCCO
|
scaffold
| 2
|
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 exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor.
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.
Target Molecule (Smiles): CCCc1c2oc(C(=O)O)cc(=O)c2cc2c(=O)cc(C(=O)O)n(CC)c12
Toxic:
|
<boolean>No</boolean>
|
CCCc1c2oc(C(=O)O)cc(=O)c2cc2c(=O)cc(C(=O)O)n(CC)c12
|
scaffold
| 2
|
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 exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor.
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.
Target Molecule (Smiles): CCCOC(=O)NCCCN(C)C
Toxic:
|
<boolean>No</boolean>
|
CCCOC(=O)NCCCN(C)C
|
scaffold
| 2
|
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 exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor.
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.
Target Molecule (Smiles): O=C1NC(=O)c2cc([N+](=O)[O-])ccc21
Toxic:
|
<boolean>No</boolean>
|
O=C1NC(=O)c2cc([N+](=O)[O-])ccc21
|
scaffold
| 2
|
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 exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor.
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.
Target Molecule (Smiles): CCCCN1C=CN(C)C1
Toxic:
|
<boolean>No</boolean>
|
CCCCN1C=CN(C)C1
|
scaffold
| 2
|
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 exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor.
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.
Target Molecule (Smiles): O=S(=O)([O-])[S-]
Toxic:
|
<boolean>No</boolean>
|
O=S(=O)([O-])[S-]
|
scaffold
| 2
|
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 exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor.
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.
Target Molecule (Smiles): C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@@]12C=C[C@H](O)[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O
Toxic:
|
<boolean>No</boolean>
|
C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@@]12C=C[C@H](O)[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O
|
scaffold
| 2
|
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 exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor.
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.
Target Molecule (Smiles): N#CNC(=N)N
Toxic:
|
<boolean>No</boolean>
|
N#CNC(=N)N
|
scaffold
| 2
|
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 exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor.
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.
Target Molecule (Smiles): COC(=O)c1ccccc1C(=O)O
Toxic:
|
<boolean>No</boolean>
|
COC(=O)c1ccccc1C(=O)O
|
scaffold
| 2
|
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 exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor.
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.
Target Molecule (Smiles): CCCCSCCCC
Toxic:
|
<boolean>No</boolean>
|
CCCCSCCCC
|
scaffold
| 2
|
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 exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor.
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.
Target Molecule (Smiles): CC(C=O)Cc1ccc(C(C)C)cc1
Toxic:
|
<boolean>No</boolean>
|
CC(C=O)Cc1ccc(C(C)C)cc1
|
scaffold
| 2
|
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 exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor.
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.
Target Molecule (Smiles): C=CCCCCCCCCC(=O)O
Toxic:
|
<boolean>No</boolean>
|
C=CCCCCCCCCC(=O)O
|
scaffold
| 2
|
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 exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor.
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.
Target Molecule (Smiles): CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)O
Toxic:
|
<boolean>No</boolean>
|
CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)O
|
scaffold
| 2
|
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 exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor.
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.
Target Molecule (Smiles): C=COC(=O)C(C)(CC)CCC(C)C
Toxic:
|
<boolean>No</boolean>
|
C=COC(=O)C(C)(CC)CCC(C)C
|
scaffold
| 2
|
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 exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor.
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.
Target Molecule (Smiles): CC1(C)C(C=C(Cl)Cl)C1C(=O)OC(C#N)c1cccc(Oc2ccccc2)c1
Toxic:
|
<boolean>No</boolean>
|
CC1(C)C(C=C(Cl)Cl)C1C(=O)OC(C#N)c1cccc(Oc2ccccc2)c1
|
scaffold
| 2
|
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 exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor.
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.
Target Molecule (Smiles): CCCOC(=O)Cc1ccc(OCC(=O)N(CC)CC)c(OC)c1
Toxic:
|
<boolean>No</boolean>
|
CCCOC(=O)Cc1ccc(OCC(=O)N(CC)CC)c(OC)c1
|
scaffold
| 2
|
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 exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor.
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.
Target Molecule (Smiles): CCN(CC)C(C)=O
Toxic:
|
<boolean>No</boolean>
|
CCN(CC)C(C)=O
|
scaffold
| 2
|
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 exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor.
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.
Target Molecule (Smiles): C=C1c2cccc(O)c2C(=O)C2=C(O)[C@]3(O)C(=O)C(C(N)=O)=C(O)[C@@H](N(C)C)[C@@H]3[C@@H](O)[C@H]12
Toxic:
|
<boolean>No</boolean>
|
C=C1c2cccc(O)c2C(=O)C2=C(O)[C@]3(O)C(=O)C(C(N)=O)=C(O)[C@@H](N(C)C)[C@@H]3[C@@H](O)[C@H]12
|
scaffold
| 2
|
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 exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor.
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.
Target Molecule (Smiles): CCCCCC1CCCC(=O)O1
Toxic:
|
<boolean>No</boolean>
|
CCCCCC1CCCC(=O)O1
|
scaffold
| 2
|
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 exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor.
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.
Target Molecule (Smiles): C/C=C(C)/C=C/C=C(C)C
Toxic:
|
<boolean>No</boolean>
|
C/C=C(C)/C=C/C=C(C)C
|
scaffold
| 2
|
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 exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor.
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.
Target Molecule (Smiles): CCN(CC)c1ccccc1
Toxic:
|
<boolean>No</boolean>
|
CCN(CC)c1ccccc1
|
scaffold
| 2
|
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 exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor.
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.
Target Molecule (Smiles): CC(=O)OCC=Cc1ccccc1
Toxic:
|
<boolean>No</boolean>
|
CC(=O)OCC=Cc1ccccc1
|
scaffold
| 2
|
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 exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor.
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.
Target Molecule (Smiles): CC(=O)OCCc1ccccc1
Toxic:
|
<boolean>No</boolean>
|
CC(=O)OCCc1ccccc1
|
scaffold
| 2
|
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 exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor.
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.
Target Molecule (Smiles): Cc1nccn1CC1CCc2c(c3ccccc3n2C)C1=O
Toxic:
|
<boolean>No</boolean>
|
Cc1nccn1CC1CCc2c(c3ccccc3n2C)C1=O
|
scaffold
| 2
|
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 exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor.
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.
Target Molecule (Smiles): OCCOCCOCCOCCOCCO
Toxic:
|
<boolean>No</boolean>
|
OCCOCCOCCOCCOCCO
|
scaffold
| 2
|
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 exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor.
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.
Target Molecule (Smiles): CC1CC(OC(=O)c2ccccc2O)CC(C)(C)C1
Toxic:
|
<boolean>No</boolean>
|
CC1CC(OC(=O)c2ccccc2O)CC(C)(C)C1
|
scaffold
| 2
|
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 exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor.
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.
Target Molecule (Smiles): CCCCCCCCCCCCCN1CC(C)OC(C)C1
Toxic:
|
<boolean>No</boolean>
|
CCCCCCCCCCCCCN1CC(C)OC(C)C1
|
scaffold
| 2
|
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 exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor.
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.
Target Molecule (Smiles): CC(O)CC(C)(C)O
Toxic:
|
<boolean>No</boolean>
|
CC(O)CC(C)(C)O
|
scaffold
| 2
|
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 exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor.
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.
Target Molecule (Smiles): CC(=O)C=CC1=C(C)CCCC1(C)C
Toxic:
|
<boolean>No</boolean>
|
CC(=O)C=CC1=C(C)CCCC1(C)C
|
scaffold
| 2
|
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 exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor.
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.
Target Molecule (Smiles): COc1ccc(Br)c(C)c1
Toxic:
|
<boolean>No</boolean>
|
COc1ccc(Br)c(C)c1
|
scaffold
| 2
|
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 exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor.
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.
Target Molecule (Smiles): CCCC(=O)OCCC(C)C
Toxic:
|
<boolean>No</boolean>
|
CCCC(=O)OCCC(C)C
|
scaffold
| 2
|
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 exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor.
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.
Target Molecule (Smiles): O=C(O)CNCC(=O)O
Toxic:
|
<boolean>No</boolean>
|
O=C(O)CNCC(=O)O
|
scaffold
| 2
|
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 exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor.
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.
Target Molecule (Smiles): CC(C)[C@]12CC(=O)[C@H](C)[C@H]1C2
Toxic:
|
<boolean>No</boolean>
|
CC(C)[C@]12CC(=O)[C@H](C)[C@H]1C2
|
scaffold
| 2
|
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 exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor.
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.
Target Molecule (Smiles): CCOC(=O)N(C)C(=O)CSP(=S)(OCC)OCC
Toxic:
|
<boolean>No</boolean>
|
CCOC(=O)N(C)C(=O)CSP(=S)(OCC)OCC
|
scaffold
| 2
|
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 exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor.
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.
Target Molecule (Smiles): CCCCCCCCC(=O)OCC(C)OC(=O)CCCCCCCC
Toxic:
|
<boolean>No</boolean>
|
CCCCCCCCC(=O)OCC(C)OC(=O)CCCCCCCC
|
scaffold
| 2
|
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 exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor.
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.
Target Molecule (Smiles): OC[C@H]1O[C@@H]2O[C@@H]3[C@@H](CO)O[C@H](O[C@@H]4[C@@H](CO)O[C@H](O[C@@H]5[C@@H](CO)O[C@H](O[C@@H]6[C@@H](CO)O[C@H](O[C@@H]7[C@@H](CO)O[C@H](O[C@H]1[C@H](O)[C@H]2O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O
Toxic:
|
<boolean>No</boolean>
|
OC[C@H]1O[C@@H]2O[C@@H]3[C@@H](CO)O[C@H](O[C@@H]4[C@@H](CO)O[C@H](O[C@@H]5[C@@H](CO)O[C@H](O[C@@H]6[C@@H](CO)O[C@H](O[C@@H]7[C@@H](CO)O[C@H](O[C@H]1[C@H](O)[C@H]2O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O
|
scaffold
| 2
|
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 exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor.
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.
Target Molecule (Smiles): O=C1CCCO1
Toxic:
|
<boolean>No</boolean>
|
O=C1CCCO1
|
scaffold
| 2
|
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 exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor.
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.
Target Molecule (Smiles): CCCCC(CC)COS(=O)(=O)[O-]
Toxic:
|
<boolean>No</boolean>
|
CCCCC(CC)COS(=O)(=O)[O-]
|
scaffold
| 2
|
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 exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor.
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.
Target Molecule (Smiles): Cc1noc(NS(=O)(=O)c2ccc(N)cc2)c1C
Toxic:
|
<boolean>No</boolean>
|
Cc1noc(NS(=O)(=O)c2ccc(N)cc2)c1C
|
scaffold
| 2
|
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 exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor.
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.
Target Molecule (Smiles): CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].[Ba+2]
Toxic:
|
<boolean>No</boolean>
|
CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].[Ba+2]
|
scaffold
| 2
|
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 exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor.
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.
Target Molecule (Smiles): NN
Toxic:
|
<boolean>No</boolean>
|
NN
|
scaffold
| 2
|
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 exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor.
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.
Target Molecule (Smiles): CC1=C(/C=C/C(C)=C/C=C/C(C)=C/CO)C(C)(C)CCC1
Toxic:
|
<boolean>No</boolean>
|
CC1=C(/C=C/C(C)=C/C=C/C(C)=C/CO)C(C)(C)CCC1
|
scaffold
| 2
|
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 exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor.
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.
Target Molecule (Smiles): O=c1n(CCO)c(=O)n(CCO)c(=O)n1CCO
Toxic:
|
<boolean>No</boolean>
|
O=c1n(CCO)c(=O)n(CCO)c(=O)n1CCO
|
scaffold
| 2
|
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 exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor.
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.
Target Molecule (Smiles): CCOC(=O)c1ccccc1O
Toxic:
|
<boolean>No</boolean>
|
CCOC(=O)c1ccccc1O
|
scaffold
| 2
|
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 exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor.
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.
Target Molecule (Smiles): BrCCOc1ccccc1
Toxic:
|
<boolean>No</boolean>
|
BrCCOc1ccccc1
|
scaffold
| 2
|
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 exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor.
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.
Target Molecule (Smiles): O=C([O-])[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO
Toxic:
|
<boolean>No</boolean>
|
O=C([O-])[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO
|
scaffold
| 2
|
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 exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor.
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.
Target Molecule (Smiles): CC=CC(=O)N(CC)c1ccccc1C
Toxic:
|
<boolean>No</boolean>
|
CC=CC(=O)N(CC)c1ccccc1C
|
scaffold
| 2
|
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 exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor.
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.
Target Molecule (Smiles): CC(=O)OCc1ccco1
Toxic:
|
<boolean>No</boolean>
|
CC(=O)OCc1ccco1
|
scaffold
| 2
|
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 exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor.
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.
Target Molecule (Smiles): C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CCC2=O
Toxic:
|
<boolean>Yes</boolean>
|
C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CCC2=O
|
scaffold
| 2
|
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 exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor.
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.
Target Molecule (Smiles): CC(C)N(C(=O)COc1nnc(C(F)(F)F)s1)c1ccc(F)cc1
Toxic:
|
<boolean>No</boolean>
|
CC(C)N(C(=O)COc1nnc(C(F)(F)F)s1)c1ccc(F)cc1
|
scaffold
| 2
|
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 exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor.
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.
Target Molecule (Smiles): CC(=O)CC(C)(C)C1CCCCC1
Toxic:
|
<boolean>No</boolean>
|
CC(=O)CC(C)(C)C1CCCCC1
|
scaffold
| 2
|
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 exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor.
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.
Target Molecule (Smiles): ClC(Cl)(Cl)c1ccccc1
Toxic:
|
<boolean>No</boolean>
|
ClC(Cl)(Cl)c1ccccc1
|
scaffold
| 2
|
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 exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor.
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.
Target Molecule (Smiles): CN1[C@H]2C[C@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@H]1O[C@@H]21
Toxic:
|
<boolean>No</boolean>
|
CN1[C@H]2C[C@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@H]1O[C@@H]21
|
scaffold
| 2
|
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 exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor.
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.
Target Molecule (Smiles): Cc1ccccc1[N+](=O)[O-]
Toxic:
|
<boolean>No</boolean>
|
Cc1ccccc1[N+](=O)[O-]
|
scaffold
| 2
|
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 exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor.
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.
Target Molecule (Smiles): ClC(Br)Br
Toxic:
|
<boolean>No</boolean>
|
ClC(Br)Br
|
scaffold
| 2
|
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 exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor.
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.
Target Molecule (Smiles): CC(O)CO
Toxic:
|
<boolean>No</boolean>
|
CC(O)CO
|
scaffold
| 2
|
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 exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor.
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.
Target Molecule (Smiles): CC(C)(C)c1ccc(C=O)cc1
Toxic:
|
<boolean>No</boolean>
|
CC(C)(C)c1ccc(C=O)cc1
|
scaffold
| 2
|
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 exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor.
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.
Target Molecule (Smiles): COP(=O)([O-])OC.Cn1cc[n+](C)c1
Toxic:
|
<boolean>No</boolean>
|
COP(=O)([O-])OC.Cn1cc[n+](C)c1
|
scaffold
| 2
|
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 exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor.
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.
Target Molecule (Smiles): Cc1cc(Cl)ccc1N
Toxic:
|
<boolean>No</boolean>
|
Cc1cc(Cl)ccc1N
|
scaffold
| 2
|
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 exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor.
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.
Target Molecule (Smiles): O=S(=O)(O)CCCN1CCOCC1
Toxic:
|
<boolean>No</boolean>
|
O=S(=O)(O)CCCN1CCOCC1
|
scaffold
| 2
|
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 exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor.
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.
Target Molecule (Smiles): CC1(C)Oc2ccc(C#N)cc2[C@@H](N2CCCC2=O)[C@@H]1O
Toxic:
|
<boolean>No</boolean>
|
CC1(C)Oc2ccc(C#N)cc2[C@@H](N2CCCC2=O)[C@@H]1O
|
scaffold
| 2
|
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 exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor.
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.
Target Molecule (Smiles): C=CC(=O)OC(C)(C)C
Toxic:
|
<boolean>No</boolean>
|
C=CC(=O)OC(C)(C)C
|
scaffold
| 2
|
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 exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor.
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.
Target Molecule (Smiles): CCCCCCCCCCCCCCCBr
Toxic:
|
<boolean>No</boolean>
|
CCCCCCCCCCCCCCCBr
|
scaffold
| 2
|
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 exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor.
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.
Target Molecule (Smiles): CCCCC#N
Toxic:
|
<boolean>No</boolean>
|
CCCCC#N
|
scaffold
| 2
|
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 exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor.
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.
Target Molecule (Smiles): CC(CN)CC(C)(C)CCN
Toxic:
|
<boolean>No</boolean>
|
CC(CN)CC(C)(C)CCN
|
scaffold
| 2
|
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 exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor.
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.
Target Molecule (Smiles): CCOCCC(=O)OCC
Toxic:
|
<boolean>No</boolean>
|
CCOCCC(=O)OCC
|
scaffold
| 2
|
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 exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor.
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.
Target Molecule (Smiles): O=c1[nH]ncc2ccccc12
Toxic:
|
<boolean>No</boolean>
|
O=c1[nH]ncc2ccccc12
|
scaffold
| 2
|
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 exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor.
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.
Target Molecule (Smiles): SCCSCCS
Toxic:
|
<boolean>No</boolean>
|
SCCSCCS
|
scaffold
| 2
|
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 exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor.
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.
Target Molecule (Smiles): CC(=O)O[AlH3](O)OC(C)=O
Toxic:
|
<boolean>No</boolean>
|
CC(=O)O[AlH3](O)OC(C)=O
|
scaffold
| 2
|
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 exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor.
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.
Target Molecule (Smiles): C[N+](C)(C)C
Toxic:
|
<boolean>No</boolean>
|
C[N+](C)(C)C
|
scaffold
| 2
|
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 exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor.
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.
Target Molecule (Smiles): CCCCN(CCCC)CCCOC(=O)c1ccc(N)cc1
Toxic:
|
<boolean>No</boolean>
|
CCCCN(CCCC)CCCOC(=O)c1ccc(N)cc1
|
scaffold
| 2
|
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 exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor.
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.
Target Molecule (Smiles): CSCCC=O
Toxic:
|
<boolean>No</boolean>
|
CSCCC=O
|
scaffold
| 2
|
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 exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor.
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.
Target Molecule (Smiles): O=C(O)c1ccccn1
Toxic:
|
<boolean>No</boolean>
|
O=C(O)c1ccccn1
|
scaffold
| 2
|
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 exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor.
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.
Target Molecule (Smiles): OCCSCSCCO
Toxic:
|
<boolean>No</boolean>
|
OCCSCSCCO
|
scaffold
| 2
|
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 exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor.
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.
Target Molecule (Smiles): CCc1cnc(C(=O)O)c(C(=O)O)c1
Toxic:
|
<boolean>No</boolean>
|
CCc1cnc(C(=O)O)c(C(=O)O)c1
|
scaffold
| 2
|
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 exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor.
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.
Target Molecule (Smiles): O=S(=O)(Cl)c1ccccc1
Toxic:
|
<boolean>No</boolean>
|
O=S(=O)(Cl)c1ccccc1
|
scaffold
| 2
|
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 exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor.
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.
Target Molecule (Smiles): CCN(CC)CCOC(=O)C(Cc1cccc2ccccc12)CC1CCCO1
Toxic:
|
<boolean>No</boolean>
|
CCN(CC)CCOC(=O)C(Cc1cccc2ccccc12)CC1CCCO1
|
scaffold
| 2
|
smiles
|
End of preview. Expand
in Data Studio
Tox21-V-SMILES Train Dataset
Dataset Description
This dataset contains molecular data with visual representations for Tox21 related compounds.
Features
- Question: Question related to the molecule
- Answer: Corresponding answer
- TargetMolecule: SMILES representation of the target molecule
- SampleMethod: Method used for sampling
- SampleNum: Sample number
- SampleRep: Sample repetition
- image: Generated molecular structure image from SMILES
Dataset Statistics
- Total samples: 6265
- Image format: PIL Image (RGB)
- Image size: 300x300 pixels
Usage
from datasets import load_dataset
dataset = load_dataset("molvision/Tox21-V-SMILES-0")
Data Fields
Question(string): Question textAnswer(string): Answer textTargetMolecule(string): SMILES representationSampleMethod(string): Sampling methodSampleNum(int): Sample numberSampleRep(string): Sample repetitionimage(PIL.Image): Molecular structure visualization
Citation
Please cite this dataset if you use it in your research.
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