Question
stringlengths 677
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| Answer
stringclasses 2
values | TargetMolecule
stringlengths 2
243
| SampleMethod
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int64 4
4
| SampleRep
stringclasses 1
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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.
You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well.
Examples:
Example 1:
Smiles: O=S(=O)(Cl)c1ccccc1
Toxic: <boolean>No</boolean>
Example 2:
Smiles: CC(C)N(c1ccccc1)C(C)C
Toxic: <boolean>No</boolean>
Example 3:
Smiles: CCc1cccc(C)c1
Toxic: <boolean>No</boolean>
Example 4:
Smiles: Cc1ccccc1CCO
Toxic: <boolean>No</boolean>
Target Molecule (Smiles): CC(=O)Nc1c(I)c(NC(C)=O)c(I)c(C(=O)O)c1I
Toxic:
|
<boolean>No</boolean>
|
CC(=O)Nc1c(I)c(NC(C)=O)c(I)c(C(=O)O)c1I
|
scaffold
| 4
|
smiles
| |
You are an expert chemist, your task is to predict the 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.
Examples:
Target Molecule (Smiles): CCCCCCCC(=O)OC
Toxic:
|
<boolean>No</boolean>
|
CCCCCCCC(=O)OC
|
scaffold
| 4
|
smiles
| |
You are an expert chemist, your task is to predict the 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.
Examples:
Target Molecule (Smiles): C=C1CCC=C(C)CC[C@@H]2[C@@H]1CC2(C)C
Toxic:
|
<boolean>No</boolean>
|
C=C1CCC=C(C)CC[C@@H]2[C@@H]1CC2(C)C
|
scaffold
| 4
|
smiles
| |
You are an expert chemist, your task is to predict the 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.
Examples:
Target Molecule (Smiles): CCCCCCCCC=O
Toxic:
|
<boolean>No</boolean>
|
CCCCCCCCC=O
|
scaffold
| 4
|
smiles
| |
You are an expert chemist, your task is to predict the 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.
Examples:
Example 1:
Smiles: C=CCC1([C@H](C)CCC)C(=O)NC(=O)NC1=O
Toxic: <boolean>No</boolean>
Example 2:
Smiles: CCC1(CC)C(=O)NC(=O)NC1=O
Toxic: <boolean>No</boolean>
Example 3:
Smiles: CC1(C)C(=O)NC(=O)NC1=O
Toxic: <boolean>No</boolean>
Example 4:
Smiles: O=C1C(N(CO)C(=O)NCO)N(CO)C(=O)N1CO
Toxic: <boolean>No</boolean>
Target Molecule (Smiles): CCC1(CCC(C)C)C(=O)NC(=O)NC1=O
Toxic:
|
<boolean>No</boolean>
|
CCC1(CCC(C)C)C(=O)NC(=O)NC1=O
|
scaffold
| 4
|
smiles
| |
You are an expert chemist, your task is to predict the 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.
Examples:
Example 1:
Smiles: O=S(=O)(Cl)c1ccccc1
Toxic: <boolean>No</boolean>
Example 2:
Smiles: CC(C)N(c1ccccc1)C(C)C
Toxic: <boolean>No</boolean>
Example 3:
Smiles: CCc1cccc(C)c1
Toxic: <boolean>No</boolean>
Example 4:
Smiles: Cc1ccccc1CCO
Toxic: <boolean>No</boolean>
Target Molecule (Smiles): Cc1ccc([N+](=O)[O-])cc1C
Toxic:
|
<boolean>No</boolean>
|
Cc1ccc([N+](=O)[O-])cc1C
|
scaffold
| 4
|
smiles
| |
You are an expert chemist, your task is to predict the 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.
Examples:
Target Molecule (Smiles): CCCCCCC(=O)O
Toxic:
|
<boolean>No</boolean>
|
CCCCCCC(=O)O
|
scaffold
| 4
|
smiles
| |
You are an expert chemist, your task is to predict the 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.
Examples:
Target Molecule (Smiles): CCCCCCCCCO
Toxic:
|
<boolean>No</boolean>
|
CCCCCCCCCO
|
scaffold
| 4
|
smiles
| |
You are an expert chemist, your task is to predict the 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.
Examples:
Example 1:
Smiles: Cc1cc(C)cc(OCC2CNC(=O)O2)c1
Toxic: <boolean>No</boolean>
Target Molecule (Smiles): COc1ccccc1OCC1CNC(=O)O1
Toxic:
|
<boolean>No</boolean>
|
COc1ccccc1OCC1CNC(=O)O1
|
scaffold
| 4
|
smiles
| |
You are an expert chemist, your task is to predict the 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.
Examples:
Example 1:
Smiles: O=S(=O)(Cl)c1ccccc1
Toxic: <boolean>No</boolean>
Example 2:
Smiles: CC(C)N(c1ccccc1)C(C)C
Toxic: <boolean>No</boolean>
Example 3:
Smiles: CCc1cccc(C)c1
Toxic: <boolean>No</boolean>
Example 4:
Smiles: Cc1ccccc1CCO
Toxic: <boolean>No</boolean>
Target Molecule (Smiles): Clc1ccc(Cl)c(Cl)c1
Toxic:
|
<boolean>No</boolean>
|
Clc1ccc(Cl)c(Cl)c1
|
scaffold
| 4
|
smiles
| |
You are an expert chemist, your task is to predict the 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.
Examples:
Target Molecule (Smiles): CC(O)CN(CCN(CC(C)O)CC(C)O)CC(C)O
Toxic:
|
<boolean>No</boolean>
|
CC(O)CN(CCN(CC(C)O)CC(C)O)CC(C)O
|
scaffold
| 4
|
smiles
| |
You are an expert chemist, your task is to predict the 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.
Examples:
Example 1:
Smiles: Nc1ncnc2c1ncn2[C@H]1CC[C@@H](CO)O1
Toxic: <boolean>No</boolean>
Example 2:
Smiles: OC[C@H]1O[C@@H](n2cnc3c(O)ncnc32)[C@H](O)[C@@H]1O
Toxic: <boolean>No</boolean>
Example 3:
Smiles: Nc1nc(F)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O
Toxic: <boolean>No</boolean>
Example 4:
Smiles: Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Toxic: <boolean>No</boolean>
Target Molecule (Smiles): Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1
Toxic:
|
<boolean>No</boolean>
|
Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1
|
scaffold
| 4
|
smiles
| |
You are an expert chemist, your task is to predict the 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.
Examples:
Target Molecule (Smiles): CC1=CC(=O)[N-]S(=O)(=O)O1
Toxic:
|
<boolean>No</boolean>
|
CC1=CC(=O)[N-]S(=O)(=O)O1
|
scaffold
| 4
|
smiles
| |
You are an expert chemist, your task is to predict the 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.
Examples:
Target Molecule (Smiles): COC(=O)/C=C\C(=O)O
Toxic:
|
<boolean>No</boolean>
|
COC(=O)/C=C\C(=O)O
|
scaffold
| 4
|
smiles
| |
You are an expert chemist, your task is to predict the 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.
Examples:
Target Molecule (Smiles): O=C(O)C(Cl)Cl
Toxic:
|
<boolean>No</boolean>
|
O=C(O)C(Cl)Cl
|
scaffold
| 4
|
smiles
| |
You are an expert chemist, your task is to predict the 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.
Examples:
Example 1:
Smiles: C1=CCCC=CCCC=CCC1
Toxic: <boolean>No</boolean>
Example 2:
Smiles: CC1=CC(O)CC(C)(C)C1
Toxic: <boolean>No</boolean>
Example 3:
Smiles: CC1=C(CC=O)C(C)(C)CCC1
Toxic: <boolean>No</boolean>
Example 4:
Smiles: CC(=O)/C=C/C1=C(C)CCCC1(C)C
Toxic: <boolean>No</boolean>
Target Molecule (Smiles): C1=CCCC=CCC1
Toxic:
|
<boolean>No</boolean>
|
C1=CCCC=CCC1
|
scaffold
| 4
|
smiles
| |
You are an expert chemist, your task is to predict the 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.
Examples:
Example 1:
Smiles: O=S(=O)(Cl)c1ccccc1
Toxic: <boolean>No</boolean>
Example 2:
Smiles: CC(C)N(c1ccccc1)C(C)C
Toxic: <boolean>No</boolean>
Example 3:
Smiles: CCc1cccc(C)c1
Toxic: <boolean>No</boolean>
Example 4:
Smiles: Cc1ccccc1CCO
Toxic: <boolean>No</boolean>
Target Molecule (Smiles): Cc1ccc(S(=O)(=O)N=C=O)cc1
Toxic:
|
<boolean>No</boolean>
|
Cc1ccc(S(=O)(=O)N=C=O)cc1
|
scaffold
| 4
|
smiles
| |
You are an expert chemist, your task is to predict the 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.
Examples:
Example 1:
Smiles: CC(C)[C@H]1CC[C@H](C)C[C@@H]1O
Toxic: <boolean>No</boolean>
Example 2:
Smiles: C=COCC1CCC(CO)CC1
Toxic: <boolean>No</boolean>
Example 3:
Smiles: O=C=NCC1CCCC(CN=C=O)C1
Toxic: <boolean>No</boolean>
Example 4:
Smiles: OCCCC1CCCCC1
Toxic: <boolean>No</boolean>
Target Molecule (Smiles): CC(O)C1CCCCC1
Toxic:
|
<boolean>No</boolean>
|
CC(O)C1CCCCC1
|
scaffold
| 4
|
smiles
| |
You are an expert chemist, your task is to predict the 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.
Examples:
Example 1:
Smiles: O=S(=O)(Cl)c1ccccc1
Toxic: <boolean>No</boolean>
Example 2:
Smiles: CC(C)N(c1ccccc1)C(C)C
Toxic: <boolean>No</boolean>
Example 3:
Smiles: CCc1cccc(C)c1
Toxic: <boolean>No</boolean>
Example 4:
Smiles: Cc1ccccc1CCO
Toxic: <boolean>No</boolean>
Target Molecule (Smiles): Nc1ccc(NCCO)c([N+](=O)[O-])c1
Toxic:
|
<boolean>No</boolean>
|
Nc1ccc(NCCO)c([N+](=O)[O-])c1
|
scaffold
| 4
|
smiles
| |
You are an expert chemist, your task is to predict the 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.
Examples:
Example 1:
Smiles: O=S(=O)(Cl)c1ccccc1
Toxic: <boolean>No</boolean>
Example 2:
Smiles: CC(C)N(c1ccccc1)C(C)C
Toxic: <boolean>No</boolean>
Example 3:
Smiles: CCc1cccc(C)c1
Toxic: <boolean>No</boolean>
Example 4:
Smiles: Cc1ccccc1CCO
Toxic: <boolean>No</boolean>
Target Molecule (Smiles): CC(=O)NC(=O)c1ccccc1O
Toxic:
|
<boolean>No</boolean>
|
CC(=O)NC(=O)c1ccccc1O
|
scaffold
| 4
|
smiles
| |
You are an expert chemist, your task is to predict the 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.
Examples:
Target Molecule (Smiles): C=CCN=C=S
Toxic:
|
<boolean>No</boolean>
|
C=CCN=C=S
|
scaffold
| 4
|
smiles
| |
You are an expert chemist, your task is to predict the 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.
Examples:
Target Molecule (Smiles): CC(=O)OCCOC(C)=O
Toxic:
|
<boolean>No</boolean>
|
CC(=O)OCCOC(C)=O
|
scaffold
| 4
|
smiles
| |
You are an expert chemist, your task is to predict the 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.
Examples:
Example 1:
Smiles: CN1C(C(=O)Nc2ccccn2)=C(O)c2ccccc2S1(=O)=O
Toxic: <boolean>No</boolean>
Example 2:
Smiles: Cc1cnc(NC(=O)C2=C(O)c3ccccc3S(=O)(=O)N2C)s1
Toxic: <boolean>Yes</boolean>
Example 3:
Smiles: Cc1cc(NC(=O)C2=C(O)c3ccccc3S(=O)(=O)N2C)no1
Toxic: <boolean>No</boolean>
Target Molecule (Smiles): CN1C(C(=O)Nc2ccccn2)=C(O)c2sccc2S1(=O)=O
Toxic:
|
<boolean>No</boolean>
|
CN1C(C(=O)Nc2ccccn2)=C(O)c2sccc2S1(=O)=O
|
scaffold
| 4
|
smiles
| |
You are an expert chemist, your task is to predict the 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.
Examples:
Example 1:
Smiles: O=C(Nc1ccc(C(=O)O)c(O)c1)c1ccccc1
Toxic: <boolean>No</boolean>
Example 2:
Smiles: O=C(NC(=O)c1c(F)cccc1F)Nc1cc(Cl)c(OC(F)(F)C(F)C(F)(F)F)cc1Cl
Toxic: <boolean>No</boolean>
Example 3:
Smiles: COc1ccc(C(=O)NCc2ccc(OCCN(C)C)cc2)cc1OC
Toxic: <boolean>No</boolean>
Example 4:
Smiles: O=C(Nc1ccc([N+](=O)[O-])cc1)Nc1ccc([N+](=O)[O-])cc1
Toxic: <boolean>No</boolean>
Target Molecule (Smiles): Nc1ccc(NC(=O)c2ccc(N)cc2)cc1
Toxic:
|
<boolean>No</boolean>
|
Nc1ccc(NC(=O)c2ccc(N)cc2)cc1
|
scaffold
| 4
|
smiles
| |
You are an expert chemist, your task is to predict the 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.
Examples:
Target Molecule (Smiles): C=C[C@@H](C)CCC=C(C)C
Toxic:
|
<boolean>No</boolean>
|
C=C[C@@H](C)CCC=C(C)C
|
scaffold
| 4
|
smiles
| |
You are an expert chemist, your task is to predict the 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.
Examples:
Example 1:
Smiles: CC(C)(C)c1nnc(NS(=O)(=O)c2ccccc2)s1
Toxic: <boolean>No</boolean>
Example 2:
Smiles: Cc1nnc(NS(=O)(=O)c2ccc(N)cc2)s1
Toxic: <boolean>No</boolean>
Example 3:
Smiles: COc1ccc(S(=O)(=O)Nc2nnc(CC(C)C)s2)cc1
Toxic: <boolean>No</boolean>
Example 4:
Smiles: Cc1cccc(C)c1NC(=O)CN1CCCC1=O
Toxic: <boolean>No</boolean>
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
| 4
|
smiles
| |
You are an expert chemist, your task is to predict the 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.
Examples:
Example 1:
Smiles: CC(C)[C@H]1CC[C@H](C)C[C@@H]1O
Toxic: <boolean>No</boolean>
Example 2:
Smiles: C=COCC1CCC(CO)CC1
Toxic: <boolean>No</boolean>
Example 3:
Smiles: O=C=NCC1CCCC(CN=C=O)C1
Toxic: <boolean>No</boolean>
Example 4:
Smiles: OCCCC1CCCCC1
Toxic: <boolean>No</boolean>
Target Molecule (Smiles): NCC1(CC(=O)O)CCCCC1
Toxic:
|
<boolean>No</boolean>
|
NCC1(CC(=O)O)CCCCC1
|
scaffold
| 4
|
smiles
| |
You are an expert chemist, your task is to predict the 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.
Examples:
Example 1:
Smiles: O=C1/C(=C2\Nc3ccc(S(=O)(=O)[O-])cc3C2=O)Nc2ccc(S(=O)(=O)[O-])cc21
Toxic: <boolean>No</boolean>
Example 2:
Smiles: CCN(CC)C(C)CN1c2ccccc2Sc2ccccc21
Toxic: <boolean>No</boolean>
Example 3:
Smiles: c1ccc2c(c1)Nc1ccccc1S2
Toxic: <boolean>No</boolean>
Example 4:
Smiles: O=C1CN=C(c2ccccc2)c2cc([N+](=O)[O-])ccc2N1
Toxic: <boolean>No</boolean>
Target Molecule (Smiles): CN(C)CCN1C(=O)c2ccccc2N(C)c2ccccc21
Toxic:
|
<boolean>No</boolean>
|
CN(C)CCN1C(=O)c2ccccc2N(C)c2ccccc21
|
scaffold
| 4
|
smiles
| |
You are an expert chemist, your task is to predict the 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.
Examples:
Example 1:
Smiles: CC1=CCC2CC1C2(C)C
Toxic: <boolean>No</boolean>
Target Molecule (Smiles): CC1=CC[C@H]2C[C@@H]1C2(C)C
Toxic:
|
<boolean>No</boolean>
|
CC1=CC[C@H]2C[C@@H]1C2(C)C
|
scaffold
| 4
|
smiles
| |
You are an expert chemist, your task is to predict the 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.
Examples:
Example 1:
Smiles: CCCCCC1CCC(=O)O1
Toxic: <boolean>No</boolean>
Example 2:
Smiles: CC1CCC(=O)O1
Toxic: <boolean>No</boolean>
Example 3:
Smiles: O=C1CCCO1
Toxic: <boolean>No</boolean>
Example 4:
Smiles: CC(=O)C1CCOC1=O
Toxic: <boolean>No</boolean>
Target Molecule (Smiles): CCCCCCC1CCOC1=O
Toxic:
|
<boolean>No</boolean>
|
CCCCCCC1CCOC1=O
|
scaffold
| 4
|
smiles
| |
You are an expert chemist, your task is to predict the 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.
Examples:
Example 1:
Smiles: CCN1CCCC1CNC(=O)c1cc(S(=O)(=O)CC)c(N)cc1OC
Toxic: <boolean>No</boolean>
Example 2:
Smiles: CCN1CCC[C@H]1CNC(=O)c1c(O)c(Cl)cc(Cl)c1OC
Toxic: <boolean>No</boolean>
Example 3:
Smiles: CCN1CCC[C@H]1CNC(=O)c1c(OC)ccc(Br)c1OC
Toxic: <boolean>No</boolean>
Example 4:
Smiles: O=C(NCC1CCCCN1)c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F
Toxic: <boolean>No</boolean>
Target Molecule (Smiles): COc1cc(C(=O)NC2CCCNC2)cc(OC)c1OC
Toxic:
|
<boolean>No</boolean>
|
COc1cc(C(=O)NC2CCCNC2)cc(OC)c1OC
|
scaffold
| 4
|
smiles
| |
You are an expert chemist, your task is to predict the 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.
Examples:
Example 1:
Smiles: O=C(c1ccc(Cl)cc1)c1ccc(Cl)cc1
Toxic: <boolean>No</boolean>
Example 2:
Smiles: O=C(c1ccccc1)c1ccccc1
Toxic: <boolean>Yes</boolean>
Example 3:
Smiles: COc1ccc(C(=O)c2ccccc2O)c(O)c1
Toxic: <boolean>No</boolean>
Example 4:
Smiles: O=C(c1ccccc1O)c1ccccc1O
Toxic: <boolean>No</boolean>
Target Molecule (Smiles): COc1cc(O)c(C(=O)c2ccccc2)cc1S(=O)(=O)O
Toxic:
|
<boolean>Yes</boolean>
|
COc1cc(O)c(C(=O)c2ccccc2)cc1S(=O)(=O)O
|
scaffold
| 4
|
smiles
| |
You are an expert chemist, your task is to predict the 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.
Examples:
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
| 4
|
smiles
| |
You are an expert chemist, your task is to predict the 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.
Examples:
Example 1:
Smiles: O=S(=O)(Cl)c1ccccc1
Toxic: <boolean>No</boolean>
Example 2:
Smiles: CC(C)N(c1ccccc1)C(C)C
Toxic: <boolean>No</boolean>
Example 3:
Smiles: CCc1cccc(C)c1
Toxic: <boolean>No</boolean>
Example 4:
Smiles: Cc1ccccc1CCO
Toxic: <boolean>No</boolean>
Target Molecule (Smiles): CCOc1ccc(NC(C)=O)cc1
Toxic:
|
<boolean>No</boolean>
|
CCOc1ccc(NC(C)=O)cc1
|
scaffold
| 4
|
smiles
| |
You are an expert chemist, your task is to predict the 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.
Examples:
Target Molecule (Smiles): CC(=O)O[C@H](CC(=O)[O-])C[N+](C)(C)C
Toxic:
|
<boolean>No</boolean>
|
CC(=O)O[C@H](CC(=O)[O-])C[N+](C)(C)C
|
scaffold
| 4
|
smiles
| |
You are an expert chemist, your task is to predict the 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.
Examples:
Target Molecule (Smiles): O=S(=O)([O-])CO
Toxic:
|
<boolean>No</boolean>
|
O=S(=O)([O-])CO
|
scaffold
| 4
|
smiles
| |
You are an expert chemist, your task is to predict the 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.
Examples:
Example 1:
Smiles: C#CCN[C@@H]1CCc2ccccc21
Toxic: <boolean>No</boolean>
Example 2:
Smiles: OC1CCCc2ccccc21
Toxic: <boolean>No</boolean>
Example 3:
Smiles: CC(C)(C)NCC(O)COc1cccc2c1C[C@H](O)[C@H](O)C2
Toxic: <boolean>No</boolean>
Example 4:
Smiles: c1ccc2c(c1)CCCC2
Toxic: <boolean>No</boolean>
Target Molecule (Smiles): C[N+](C)(C)CC[N+]1(C)Cc2c(Cl)c(Cl)c(Cl)c(Cl)c2C1
Toxic:
|
<boolean>No</boolean>
|
C[N+](C)(C)CC[N+]1(C)Cc2c(Cl)c(Cl)c(Cl)c(Cl)c2C1
|
scaffold
| 4
|
smiles
| |
You are an expert chemist, your task is to predict the 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.
Examples:
Example 1:
Smiles: Cn1cnc2c1c(=O)[nH]c(=O)n2C
Toxic: <boolean>No</boolean>
Example 2:
Smiles: Cn1c(=O)c2c(ncn2CC(O)CO)n(C)c1=O
Toxic: <boolean>No</boolean>
Example 3:
Smiles: CC(O)CCCCn1c(=O)c2c(ncn2C)n(C)c1=O
Toxic: <boolean>No</boolean>
Example 4:
Smiles: Cn1c(=O)c2[nH]c(Br)nc2n(C)c1=O
Toxic: <boolean>No</boolean>
Target Molecule (Smiles): O=c1nc([O-])n(Cl)c(=O)n1Cl
Toxic:
|
<boolean>No</boolean>
|
O=c1nc([O-])n(Cl)c(=O)n1Cl
|
scaffold
| 4
|
smiles
| |
You are an expert chemist, your task is to predict the 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.
Examples:
Target Molecule (Smiles): C=CCCCCCCCCCCCC
Toxic:
|
<boolean>No</boolean>
|
C=CCCCCCCCCCCCC
|
scaffold
| 4
|
smiles
| |
You are an expert chemist, your task is to predict the 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.
Examples:
Example 1:
Smiles: O=S(=O)(Cl)c1ccccc1
Toxic: <boolean>No</boolean>
Example 2:
Smiles: CC(C)N(c1ccccc1)C(C)C
Toxic: <boolean>No</boolean>
Example 3:
Smiles: CCc1cccc(C)c1
Toxic: <boolean>No</boolean>
Example 4:
Smiles: Cc1ccccc1CCO
Toxic: <boolean>No</boolean>
Target Molecule (Smiles): CC(O)c1ccccc1
Toxic:
|
<boolean>No</boolean>
|
CC(O)c1ccccc1
|
scaffold
| 4
|
smiles
| |
You are an expert chemist, your task is to predict the 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.
Examples:
Example 1:
Smiles: O=C(O)CSCC(=O)NC1CCSC1=O
Toxic: <boolean>No</boolean>
Target Molecule (Smiles): CC(=O)NC1CCSC1=O
Toxic:
|
<boolean>No</boolean>
|
CC(=O)NC1CCSC1=O
|
scaffold
| 4
|
smiles
| |
You are an expert chemist, your task is to predict the 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.
Examples:
Target Molecule (Smiles): CCCOC(=O)C(C)O
Toxic:
|
<boolean>No</boolean>
|
CCCOC(=O)C(C)O
|
scaffold
| 4
|
smiles
| |
You are an expert chemist, your task is to predict the 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.
Examples:
Target Molecule (Smiles): CC(C)CC(C)O
Toxic:
|
<boolean>No</boolean>
|
CC(C)CC(C)O
|
scaffold
| 4
|
smiles
| |
You are an expert chemist, your task is to predict the 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.
Examples:
Example 1:
Smiles: O=S(=O)(Cl)c1ccccc1
Toxic: <boolean>No</boolean>
Example 2:
Smiles: CC(C)N(c1ccccc1)C(C)C
Toxic: <boolean>No</boolean>
Example 3:
Smiles: CCc1cccc(C)c1
Toxic: <boolean>No</boolean>
Example 4:
Smiles: Cc1ccccc1CCO
Toxic: <boolean>No</boolean>
Target Molecule (Smiles): Cc1cc(S(=O)(=O)O)c(N)cc1Cl
Toxic:
|
<boolean>No</boolean>
|
Cc1cc(S(=O)(=O)O)c(N)cc1Cl
|
scaffold
| 4
|
smiles
| |
You are an expert chemist, your task is to predict the 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.
Examples:
Target Molecule (Smiles): CC(C)CC(O)CC(C)C
Toxic:
|
<boolean>No</boolean>
|
CC(C)CC(O)CC(C)C
|
scaffold
| 4
|
smiles
| |
You are an expert chemist, your task is to predict the 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.
Examples:
Target Molecule (Smiles): NCCCCCCN
Toxic:
|
<boolean>No</boolean>
|
NCCCCCCN
|
scaffold
| 4
|
smiles
| |
You are an expert chemist, your task is to predict the 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.
Examples:
Example 1:
Smiles: O=S(=O)(Cl)c1ccccc1
Toxic: <boolean>No</boolean>
Example 2:
Smiles: CC(C)N(c1ccccc1)C(C)C
Toxic: <boolean>No</boolean>
Example 3:
Smiles: CCc1cccc(C)c1
Toxic: <boolean>No</boolean>
Example 4:
Smiles: Cc1ccccc1CCO
Toxic: <boolean>No</boolean>
Target Molecule (Smiles): Nc1ccccc1C(=O)O
Toxic:
|
<boolean>No</boolean>
|
Nc1ccccc1C(=O)O
|
scaffold
| 4
|
smiles
| |
You are an expert chemist, your task is to predict the 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.
Examples:
Example 1:
Smiles: Cc1ncsc1CCCl
Toxic: <boolean>No</boolean>
Example 2:
Smiles: CN/C(=N\[N+](=O)[O-])NCc1cnc(Cl)s1
Toxic: <boolean>No</boolean>
Example 3:
Smiles: NC(N)=Nc1nc(CSCC/C(N)=N\S(N)(=O)=O)cs1
Toxic: <boolean>No</boolean>
Example 4:
Smiles: CC(C)Cc1nccs1
Toxic: <boolean>No</boolean>
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
|
scaffold
| 4
|
smiles
| |
You are an expert chemist, your task is to predict the 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.
Examples:
Target Molecule (Smiles): N#CNC(=N)N
Toxic:
|
<boolean>No</boolean>
|
N#CNC(=N)N
|
scaffold
| 4
|
smiles
| |
You are an expert chemist, your task is to predict the 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.
Examples:
Example 1:
Smiles: NC[C@H]1O[C@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](N)[C@H]3O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O
Toxic: <boolean>No</boolean>
Example 2:
Smiles: NCC[C@H](O)C(=O)N[C@@H]1C[C@H](N)[C@@H](O[C@H]2O[C@H](CN)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](N)[C@H]1O
Toxic: <boolean>No</boolean>
Example 3:
Smiles: OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O
Toxic: <boolean>No</boolean>
Example 4:
Smiles: CC(=O)OC[C@H]1O[C@H](O[C@]2(COC(C)=O)O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]2OC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O
Toxic: <boolean>No</boolean>
Target Molecule (Smiles): NC[C@H]1O[C@H](O[C@@H]2[C@@H](N)C[C@@H](N)C(O)[C@H]2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)[C@H](N)[C@@H](O)[C@@H]1O
Toxic:
|
<boolean>No</boolean>
|
NC[C@H]1O[C@H](O[C@@H]2[C@@H](N)C[C@@H](N)C(O)[C@H]2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)[C@H](N)[C@@H](O)[C@@H]1O
|
scaffold
| 4
|
smiles
| |
You are an expert chemist, your task is to predict the 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.
Examples:
Example 1:
Smiles: Oc1nc(O)nc(O)n1
Toxic: <boolean>No</boolean>
Example 2:
Smiles: COCN(COC)c1nc(N(COC)COC)nc(N(COC)COC)n1
Toxic: <boolean>No</boolean>
Example 3:
Smiles: C=CCOc1nc(OCC=C)nc(OCC=C)n1
Toxic: <boolean>No</boolean>
Example 4:
Smiles: CSc1nc(NC(C)C)nc(NC(C)C)n1
Toxic: <boolean>No</boolean>
Target Molecule (Smiles): CC(C)Nc1nc(Cl)nc(NC(C)C)n1
Toxic:
|
<boolean>No</boolean>
|
CC(C)Nc1nc(Cl)nc(NC(C)C)n1
|
scaffold
| 4
|
smiles
| |
You are an expert chemist, your task is to predict the 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.
Examples:
Example 1:
Smiles: O=S(=O)(Cl)c1ccccc1
Toxic: <boolean>No</boolean>
Example 2:
Smiles: CC(C)N(c1ccccc1)C(C)C
Toxic: <boolean>No</boolean>
Example 3:
Smiles: CCc1cccc(C)c1
Toxic: <boolean>No</boolean>
Example 4:
Smiles: Cc1ccccc1CCO
Toxic: <boolean>No</boolean>
Target Molecule (Smiles): CC(=O)CCc1ccccc1
Toxic:
|
<boolean>No</boolean>
|
CC(=O)CCc1ccccc1
|
scaffold
| 4
|
smiles
| |
You are an expert chemist, your task is to predict the 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.
Examples:
Example 1:
Smiles: Cc1ncsc1CCCl
Toxic: <boolean>No</boolean>
Example 2:
Smiles: CNC(=C[N+](=O)[O-])NCCSCc1csc(CN(C)C)n1
Toxic: <boolean>No</boolean>
Example 3:
Smiles: CN/C(=N\[N+](=O)[O-])NCc1cnc(Cl)s1
Toxic: <boolean>No</boolean>
Example 4:
Smiles: NC(N)=Nc1nc(CSCC/C(N)=N\S(N)(=O)=O)cs1
Toxic: <boolean>No</boolean>
Target Molecule (Smiles): Cc1ncsc1CCO
Toxic:
|
<boolean>No</boolean>
|
Cc1ncsc1CCO
|
scaffold
| 4
|
smiles
| |
You are an expert chemist, your task is to predict the 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.
Examples:
Example 1:
Smiles: O=S(=O)(Cl)c1ccccc1
Toxic: <boolean>No</boolean>
Example 2:
Smiles: CC(C)N(c1ccccc1)C(C)C
Toxic: <boolean>No</boolean>
Example 3:
Smiles: CCc1cccc(C)c1
Toxic: <boolean>No</boolean>
Example 4:
Smiles: Cc1ccccc1CCO
Toxic: <boolean>No</boolean>
Target Molecule (Smiles): COc1c(Cl)ccc(Cl)c1C(=O)O
Toxic:
|
<boolean>No</boolean>
|
COc1c(Cl)ccc(Cl)c1C(=O)O
|
scaffold
| 4
|
smiles
| |
You are an expert chemist, your task is to predict the 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.
Examples:
Example 1:
Smiles: CC=Cc1ccc2c(c1)OCO2
Toxic: <boolean>No</boolean>
Example 2:
Smiles: C=CCc1ccc2c(c1)OCO2
Toxic: <boolean>No</boolean>
Example 3:
Smiles: CNC(=O)Oc1cccc2c1OC(C)(C)O2
Toxic: <boolean>No</boolean>
Example 4:
Smiles: CC(=O)CCc1ccc2c(c1)OCO2
Toxic: <boolean>No</boolean>
Target Molecule (Smiles): C=CCc1cc(OC)c2c(c1)OCO2
Toxic:
|
<boolean>No</boolean>
|
C=CCc1cc(OC)c2c(c1)OCO2
|
scaffold
| 4
|
smiles
| |
You are an expert chemist, your task is to predict the 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.
Examples:
Target Molecule (Smiles): CCCCCCCCO
Toxic:
|
<boolean>No</boolean>
|
CCCCCCCCO
|
scaffold
| 4
|
smiles
| |
You are an expert chemist, your task is to predict the 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.
Examples:
Target Molecule (Smiles): COCC(=O)O
Toxic:
|
<boolean>No</boolean>
|
COCC(=O)O
|
scaffold
| 4
|
smiles
| |
You are an expert chemist, your task is to predict the 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.
Examples:
Target Molecule (Smiles): CNC(=O)ON=CC(C)(C)SC
Toxic:
|
<boolean>No</boolean>
|
CNC(=O)ON=CC(C)(C)SC
|
scaffold
| 4
|
smiles
| |
You are an expert chemist, your task is to predict the 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.
Examples:
Target Molecule (Smiles): CCC(=O)CC
Toxic:
|
<boolean>No</boolean>
|
CCC(=O)CC
|
scaffold
| 4
|
smiles
| |
You are an expert chemist, your task is to predict the 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.
Examples:
Target Molecule (Smiles): CCCC(C)=O
Toxic:
|
<boolean>No</boolean>
|
CCCC(C)=O
|
scaffold
| 4
|
smiles
|
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