Question
stringlengths 484
807
| Answer
stringclasses 2
values | TargetMolecule
stringlengths 2
325
| SampleMethod
stringclasses 1
value | SampleNum
int64 0
0
| SampleRep
stringclasses 1
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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 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.
Examples:
Target Molecule (Smiles): c1ccc2ccccc2c1
Toxic:
|
<boolean>No</boolean>
|
c1ccc2ccccc2c1
|
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 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.
Examples:
Target Molecule (Smiles): C=CCOC(=O)C(=C)C
Toxic:
|
<boolean>No</boolean>
|
C=CCOC(=O)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 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.
Examples:
Target Molecule (Smiles): O=C([O-])P(=O)([O-])[O-]
Toxic:
|
<boolean>No</boolean>
|
O=C([O-])P(=O)([O-])[O-]
|
random
| 0
|
smiles
| |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule 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.
Examples:
Target Molecule (Smiles): CCCCOCCOC(C)=O
Toxic:
|
<boolean>No</boolean>
|
CCCCOCCOC(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 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.
Examples:
Target Molecule (Smiles): Nc1nnnn1-c1ccccc1
Toxic:
|
<boolean>No</boolean>
|
Nc1nnnn1-c1ccccc1
|
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 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.
Examples:
Target Molecule (Smiles): O=Cc1ccco1
Toxic:
|
<boolean>Yes</boolean>
|
O=Cc1ccco1
|
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 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.
Examples:
Target Molecule (Smiles): C=C(C)C(=O)OCCOC(=O)C(=C)C
Toxic:
|
<boolean>No</boolean>
|
C=C(C)C(=O)OCCOC(=O)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 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.
Examples:
Target Molecule (Smiles): O=C1CCCC1
Toxic:
|
<boolean>No</boolean>
|
O=C1CCCC1
|
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 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.
Examples:
Target Molecule (Smiles): CN(C)CCN1C(=O)c2ccccc2N(C)c2ccccc21
Toxic:
|
<boolean>No</boolean>
|
CN(C)CCN1C(=O)c2ccccc2N(C)c2ccccc21
|
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 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.
Examples:
Target Molecule (Smiles): Oc1cc(Cl)ccc1Cl
Toxic:
|
<boolean>No</boolean>
|
Oc1cc(Cl)ccc1Cl
|
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 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.
Examples:
Target Molecule (Smiles): CCCC[n+]1cccc(C)c1.F[B-](F)(F)F
Toxic:
|
<boolean>No</boolean>
|
CCCC[n+]1cccc(C)c1.F[B-](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 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.
Examples:
Target Molecule (Smiles): CCN(CC)C(C)=O
Toxic:
|
<boolean>No</boolean>
|
CCN(CC)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 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.
Examples:
Target Molecule (Smiles): CC(=O)O
Toxic:
|
<boolean>No</boolean>
|
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 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.
Examples:
Target Molecule (Smiles): CN(C)CCOC(=O)COc1ccc(Cl)cc1
Toxic:
|
<boolean>No</boolean>
|
CN(C)CCOC(=O)COc1ccc(Cl)cc1
|
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 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.
Examples:
Target Molecule (Smiles): O=C(O)CNCC(=O)O
Toxic:
|
<boolean>No</boolean>
|
O=C(O)CNCC(=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 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.
Examples:
Target Molecule (Smiles): Cc1ccccc1CCO
Toxic:
|
<boolean>No</boolean>
|
Cc1ccccc1CCO
|
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 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.
Examples:
Target Molecule (Smiles): C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1
Toxic:
|
<boolean>No</boolean>
|
C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1
|
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 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.
Examples:
Target Molecule (Smiles): O=C1CCCCCN1
Toxic:
|
<boolean>No</boolean>
|
O=C1CCCCCN1
|
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 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.
Examples:
Target Molecule (Smiles): Cc1ccc([N+](=O)[O-])cc1C
Toxic:
|
<boolean>No</boolean>
|
Cc1ccc([N+](=O)[O-])cc1C
|
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 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.
Examples:
Target Molecule (Smiles): CCC1(c2ccc(N)cc2)CCC(=O)NC1=O
Toxic:
|
<boolean>No</boolean>
|
CCC1(c2ccc(N)cc2)CCC(=O)NC1=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 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.
Examples:
Target Molecule (Smiles): C/C=C/C=C/C(=O)O
Toxic:
|
<boolean>Yes</boolean>
|
C/C=C/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 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.
Examples:
Target Molecule (Smiles): Cc1c[nH]c2ccccc12
Toxic:
|
<boolean>No</boolean>
|
Cc1c[nH]c2ccccc12
|
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 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.
Examples:
Target Molecule (Smiles): CCCCC1C(=O)N(c2ccccc2)N(c2ccccc2)C1=O
Toxic:
|
<boolean>No</boolean>
|
CCCCC1C(=O)N(c2ccccc2)N(c2ccccc2)C1=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 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.
Examples:
Target Molecule (Smiles): CCN(CC)N=O
Toxic:
|
<boolean>No</boolean>
|
CCN(CC)N=O
|
random
| 0
|
smiles
| |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule 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.
Examples:
Target Molecule (Smiles): O=C(Cl)c1ccccc1F
Toxic:
|
<boolean>No</boolean>
|
O=C(Cl)c1ccccc1F
|
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 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.
Examples:
Target Molecule (Smiles): CC(C)NC(=O)NC(C)C
Toxic:
|
<boolean>No</boolean>
|
CC(C)NC(=O)NC(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 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.
Examples:
Target Molecule (Smiles): CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1Cc2cc(OC)c(OC)cc2C[C@H]1C(=O)O
Toxic:
|
<boolean>No</boolean>
|
CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1Cc2cc(OC)c(OC)cc2C[C@H]1C(=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 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.
Examples:
Target Molecule (Smiles): NCCc1cnc[nH]1
Toxic:
|
<boolean>No</boolean>
|
NCCc1cnc[nH]1
|
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 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.
Examples:
Target Molecule (Smiles): CCC1CO1
Toxic:
|
<boolean>No</boolean>
|
CCC1CO1
|
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 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.
Examples:
Target Molecule (Smiles): C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)CO
Toxic:
|
<boolean>Yes</boolean>
|
C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)CO
|
random
| 0
|
smiles
| |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule 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.
Examples:
Target Molecule (Smiles): CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCNC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Toxic:
|
<boolean>No</boolean>
|
CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCNC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
|
random
| 0
|
smiles
| |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule 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.
Examples:
Target Molecule (Smiles): COc1nc(NC(C)C)nc(NC(C)C)n1
Toxic:
|
<boolean>No</boolean>
|
COc1nc(NC(C)C)nc(NC(C)C)n1
|
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 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.
Examples:
Target Molecule (Smiles): CC[n+]1ccccc1.F[B-](F)(F)F
Toxic:
|
<boolean>No</boolean>
|
CC[n+]1ccccc1.F[B-](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 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.
Examples:
Target Molecule (Smiles): CN(C)CCc1c[nH]c2ccc(CS(=O)(=O)N3CCCC3)cc12
Toxic:
|
<boolean>No</boolean>
|
CN(C)CCc1c[nH]c2ccc(CS(=O)(=O)N3CCCC3)cc12
|
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 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.
Examples:
Target Molecule (Smiles): O=C(O)CNC(=O)CNC(=O)CNC(=O)CSC(=O)c1ccccc1
Toxic:
|
<boolean>No</boolean>
|
O=C(O)CNC(=O)CNC(=O)CNC(=O)CSC(=O)c1ccccc1
|
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 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.
Examples:
Target Molecule (Smiles): O=C([O-])P(=O)([O-])[O-]
Toxic:
|
<boolean>No</boolean>
|
O=C([O-])P(=O)([O-])[O-]
|
random
| 0
|
smiles
| |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule 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.
Examples:
Target Molecule (Smiles): NC1CCCCC1N
Toxic:
|
<boolean>No</boolean>
|
NC1CCCCC1N
|
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 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.
Examples:
Target Molecule (Smiles): CNC(=O)Oc1ccc2c(c1)[C@]1(C)CCN(C)[C@@H]1N2C
Toxic:
|
<boolean>No</boolean>
|
CNC(=O)Oc1ccc2c(c1)[C@]1(C)CCN(C)[C@@H]1N2C
|
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 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.
Examples:
Target Molecule (Smiles): COc1ccc2cc([C@H](C)C(=O)[O-])ccc2c1
Toxic:
|
<boolean>No</boolean>
|
COc1ccc2cc([C@H](C)C(=O)[O-])ccc2c1
|
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 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.
Examples:
Target Molecule (Smiles): Nc1c2c(nc3ccccc13)CCCC2O
Toxic:
|
<boolean>No</boolean>
|
Nc1c2c(nc3ccccc13)CCCC2O
|
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 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.
Examples:
Target Molecule (Smiles): CC(C)(Oc1ccc(C2CC2(Cl)Cl)cc1)C(=O)O
Toxic:
|
<boolean>No</boolean>
|
CC(C)(Oc1ccc(C2CC2(Cl)Cl)cc1)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 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.
Examples:
Target Molecule (Smiles): Cc1nc(N(C)C)nc(OC(=O)N(C)C)c1C
Toxic:
|
<boolean>No</boolean>
|
Cc1nc(N(C)C)nc(OC(=O)N(C)C)c1C
|
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 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.
Examples:
Target Molecule (Smiles): CCCCCCOC(C)=O
Toxic:
|
<boolean>No</boolean>
|
CCCCCCOC(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 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.
Examples:
Target Molecule (Smiles): COc1cccc(C=O)c1
Toxic:
|
<boolean>No</boolean>
|
COc1cccc(C=O)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 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.
Examples:
Target Molecule (Smiles): O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(c2ncccn2)CC1
Toxic:
|
<boolean>No</boolean>
|
O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(c2ncccn2)CC1
|
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 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.
Examples:
Target Molecule (Smiles): CCCC[n+]1ccc(C)cc1.O=S(=O)([O-])C(F)(F)F
Toxic:
|
<boolean>No</boolean>
|
CCCC[n+]1ccc(C)cc1.O=S(=O)([O-])C(F)(F)F
|
random
| 0
|
smiles
| |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule 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.
Examples:
Target Molecule (Smiles): CC(C)(O)C#CC(C)(C)O
Toxic:
|
<boolean>No</boolean>
|
CC(C)(O)C#CC(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 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.
Examples:
Target Molecule (Smiles): CC1(C)CC(N=C=O)CC(C)(CN=C=O)C1
Toxic:
|
<boolean>No</boolean>
|
CC1(C)CC(N=C=O)CC(C)(CN=C=O)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 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.
Examples:
Target Molecule (Smiles): CC(Cl)(Cl)Cl
Toxic:
|
<boolean>No</boolean>
|
CC(Cl)(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 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.
Examples:
Target Molecule (Smiles): CCN1CCCC1CNC(=O)c1cc(S(=O)(=O)CC)c(N)cc1OC
Toxic:
|
<boolean>No</boolean>
|
CCN1CCCC1CNC(=O)c1cc(S(=O)(=O)CC)c(N)cc1OC
|
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 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.
Examples:
Target Molecule (Smiles): CC1=CCC2CC1C2(C)C
Toxic:
|
<boolean>No</boolean>
|
CC1=CCC2CC1C2(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 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.
Examples:
Target Molecule (Smiles): OCCN(CCO)c1cccc(Cl)c1
Toxic:
|
<boolean>No</boolean>
|
OCCN(CCO)c1cccc(Cl)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 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.
Examples:
Target Molecule (Smiles): CCOC(=O)C(C)C(C)=O
Toxic:
|
<boolean>No</boolean>
|
CCOC(=O)C(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 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.
Examples:
Target Molecule (Smiles): CC(C)OC(=O)c1ccccc1C(=O)OC(C)C
Toxic:
|
<boolean>No</boolean>
|
CC(C)OC(=O)c1ccccc1C(=O)OC(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 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.
Examples:
Target Molecule (Smiles): Cc1ccc(C)c([N+](=O)[O-])c1
Toxic:
|
<boolean>No</boolean>
|
Cc1ccc(C)c([N+](=O)[O-])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 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.
Examples:
Target Molecule (Smiles): CC/C=C\CCCCCCCCCCOC(C)=O
Toxic:
|
<boolean>No</boolean>
|
CC/C=C\CCCCCCCCCCOC(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 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.
Examples:
Target Molecule (Smiles): CCn1cc(C(=O)O)c(=O)c2ccc(C)nc21
Toxic:
|
<boolean>No</boolean>
|
CCn1cc(C(=O)O)c(=O)c2ccc(C)nc21
|
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 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.
Examples:
Target Molecule (Smiles): CCCCC(CC)COC(=O)CCCCCCCC(=O)OCC(CC)CCCC
Toxic:
|
<boolean>No</boolean>
|
CCCCC(CC)COC(=O)CCCCCCCC(=O)OCC(CC)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 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.
Examples:
Target Molecule (Smiles): C=C[Si]1(C)O[Si](C)(C=C)O[Si](C)(C=C)O[Si](C)(C=C)O1
Toxic:
|
<boolean>No</boolean>
|
C=C[Si]1(C)O[Si](C)(C=C)O[Si](C)(C=C)O[Si](C)(C=C)O1
|
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 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.
Examples:
Target Molecule (Smiles): CC(=O)CN(CC(C)=O)N=O
Toxic:
|
<boolean>No</boolean>
|
CC(=O)CN(CC(C)=O)N=O
|
random
| 0
|
smiles
| |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule 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.
Examples:
Target Molecule (Smiles): FC(F)(F)C(=NOCC1OCCO1)c1ccc(Cl)cc1
Toxic:
|
<boolean>No</boolean>
|
FC(F)(F)C(=NOCC1OCCO1)c1ccc(Cl)cc1
|
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 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.
Examples:
Target Molecule (Smiles): COC(=O)C(C)(C)C
Toxic:
|
<boolean>No</boolean>
|
COC(=O)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 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.
Examples:
Target Molecule (Smiles): O=C(N[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1)C(Cl)Cl
Toxic:
|
<boolean>No</boolean>
|
O=C(N[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1)C(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 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.
Examples:
Target Molecule (Smiles): CCCCNc1cc(C(=O)O)cc(S(N)(=O)=O)c1Oc1ccccc1
Toxic:
|
<boolean>No</boolean>
|
CCCCNc1cc(C(=O)O)cc(S(N)(=O)=O)c1Oc1ccccc1
|
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 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.
Examples:
Target Molecule (Smiles): CN(C)C(=O)C(c1ccccc1)c1ccccc1
Toxic:
|
<boolean>No</boolean>
|
CN(C)C(=O)C(c1ccccc1)c1ccccc1
|
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 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.
Examples:
Target Molecule (Smiles): Cc1cc(C)cc(C)c1
Toxic:
|
<boolean>Yes</boolean>
|
Cc1cc(C)cc(C)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 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.
Examples:
Target Molecule (Smiles): CN(C)C(=O)Nc1ccccc1
Toxic:
|
<boolean>No</boolean>
|
CN(C)C(=O)Nc1ccccc1
|
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 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.
Examples:
Target Molecule (Smiles): c1ccc(OCc2ccc(CCCN3CCOCC3)cc2)cc1
Toxic:
|
<boolean>No</boolean>
|
c1ccc(OCc2ccc(CCCN3CCOCC3)cc2)cc1
|
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 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.
Examples:
Target Molecule (Smiles): COCCOCCOCCO
Toxic:
|
<boolean>No</boolean>
|
COCCOCCOCCO
|
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 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.
Examples:
Target Molecule (Smiles): ClC(Br)Br
Toxic:
|
<boolean>No</boolean>
|
ClC(Br)Br
|
random
| 0
|
smiles
| |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule 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.
Examples:
Target Molecule (Smiles): CC/C=C\CCCCO
Toxic:
|
<boolean>No</boolean>
|
CC/C=C\CCCCO
|
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 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.
Examples:
Target Molecule (Smiles): [Fe+2].c1cc[cH-]c1.c1cc[cH-]c1
Toxic:
|
<boolean>No</boolean>
|
[Fe+2].c1cc[cH-]c1.c1cc[cH-]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 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.
Examples:
Target Molecule (Smiles): C[Sn](Cl)(Cl)Cl
Toxic:
|
<boolean>No</boolean>
|
C[Sn](Cl)(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 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.
Examples:
Target Molecule (Smiles): CCOP(=S)(OCC)SCCSCC
Toxic:
|
<boolean>No</boolean>
|
CCOP(=S)(OCC)SCCSCC
|
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 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.
Examples:
Target Molecule (Smiles): CNC(=C[N+](=O)[O-])NCCSCc1csc(CN(C)C)n1
Toxic:
|
<boolean>No</boolean>
|
CNC(=C[N+](=O)[O-])NCCSCc1csc(CN(C)C)n1
|
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 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.
Examples:
Target Molecule (Smiles): CCCCCCC(C)(C)S
Toxic:
|
<boolean>No</boolean>
|
CCCCCCC(C)(C)S
|
random
| 0
|
smiles
| |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule 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.
Examples:
Target Molecule (Smiles): c1ccc(N=Nc2ccccc2)cc1
Toxic:
|
<boolean>No</boolean>
|
c1ccc(N=Nc2ccccc2)cc1
|
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 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.
Examples:
Target Molecule (Smiles): CCCC(=O)OC(=O)CCC
Toxic:
|
<boolean>No</boolean>
|
CCCC(=O)OC(=O)CCC
|
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 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.
Examples:
Target Molecule (Smiles): C=C(C)C(=O)OCCOCCOCCOC(=O)C(=C)C
Toxic:
|
<boolean>No</boolean>
|
C=C(C)C(=O)OCCOCCOCCOC(=O)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 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.
Examples:
Target Molecule (Smiles): CCC1(CC)C(=O)C=CNC1=O
Toxic:
|
<boolean>No</boolean>
|
CCC1(CC)C(=O)C=CNC1=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 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.
Examples:
Target Molecule (Smiles): CCCCN(CCCC)CCCC
Toxic:
|
<boolean>No</boolean>
|
CCCCN(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 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.
Examples:
Target Molecule (Smiles): C[C@@H](O)C(=O)O
Toxic:
|
<boolean>No</boolean>
|
C[C@@H](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 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.
Examples:
Target Molecule (Smiles): OC[C@H]1O[C@H](OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)[C@H](O)[C@@H](O)[C@@H]1O
Toxic:
|
<boolean>No</boolean>
|
OC[C@H]1O[C@H](OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)[C@H](O)[C@@H](O)[C@@H]1O
|
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 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.
Examples:
Target Molecule (Smiles): Cc1ccccc1CCl
Toxic:
|
<boolean>No</boolean>
|
Cc1ccccc1CCl
|
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 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.
Examples:
Target Molecule (Smiles): CCCCC/C=C\C/C=C\CCCCCCCC(=O)O
Toxic:
|
<boolean>No</boolean>
|
CCCCC/C=C\C/C=C\CCCCCCCC(=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 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.
Examples:
Target Molecule (Smiles): CCN(N=O)C(N)=O
Toxic:
|
<boolean>No</boolean>
|
CCN(N=O)C(N)=O
|
random
| 0
|
smiles
| |
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge.
Task Description:
Given the Smiles string and molecular properties above, predict whether this molecule 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.
Examples:
Target Molecule (Smiles): CCOC(=O)CC([O-])C(=O)OCC
Toxic:
|
<boolean>No</boolean>
|
CCOC(=O)CC([O-])C(=O)OCC
|
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 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.
Examples:
Target Molecule (Smiles): CC(CO)CO
Toxic:
|
<boolean>No</boolean>
|
CC(CO)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 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.
Examples:
Target Molecule (Smiles): CN(C)P(=O)(N(C)C)N(C)C
Toxic:
|
<boolean>No</boolean>
|
CN(C)P(=O)(N(C)C)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 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.
Examples:
Target Molecule (Smiles): C/C=C(/C)C#N
Toxic:
|
<boolean>No</boolean>
|
C/C=C(/C)C#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 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.
Examples:
Target Molecule (Smiles): c1ccc2[nH]cnc2c1
Toxic:
|
<boolean>No</boolean>
|
c1ccc2[nH]cnc2c1
|
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 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.
Examples:
Target Molecule (Smiles): CCCCCCCCCCCCc1ccccc1
Toxic:
|
<boolean>No</boolean>
|
CCCCCCCCCCCCc1ccccc1
|
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 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.
Examples:
Target Molecule (Smiles): Nc1nc(N)nc(Cl)n1
Toxic:
|
<boolean>No</boolean>
|
Nc1nc(N)nc(Cl)n1
|
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 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.
Examples:
Target Molecule (Smiles): COc1cc(C(=O)NCCCCCC(=O)O)cc(OC)c1OC
Toxic:
|
<boolean>No</boolean>
|
COc1cc(C(=O)NCCCCCC(=O)O)cc(OC)c1OC
|
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 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.
Examples:
Target Molecule (Smiles): Nc1cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)O)cc(O)c12
Toxic:
|
<boolean>No</boolean>
|
Nc1cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)O)cc(O)c12
|
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 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.
Examples:
Target Molecule (Smiles): CSC(=O)c1cccc2nnsc12
Toxic:
|
<boolean>No</boolean>
|
CSC(=O)c1cccc2nnsc12
|
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 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.
Examples:
Target Molecule (Smiles): CSc1nc(N=[N+]=[N-])nc(NC(C)C)n1
Toxic:
|
<boolean>No</boolean>
|
CSc1nc(N=[N+]=[N-])nc(NC(C)C)n1
|
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 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.
Examples:
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
|
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 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.
Examples:
Target Molecule (Smiles): CC(C)(Oc1ccc(C2CC2(Cl)Cl)cc1)C(=O)O
Toxic:
|
<boolean>No</boolean>
|
CC(C)(Oc1ccc(C2CC2(Cl)Cl)cc1)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 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.
Examples:
Target Molecule (Smiles): O=C(c1ccc(O)cc1O)c1ccc(O)cc1O
Toxic:
|
<boolean>No</boolean>
|
O=C(c1ccc(O)cc1O)c1ccc(O)cc1O
|
random
| 0
|
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: 6160
- Image format: PIL Image (RGB)
- Image size: 300x300 pixels
Usage
from datasets import load_dataset
dataset = load_dataset("molvision/Tox21-V-Train")
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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