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Predicted compound

StructureInfo
PubChem and ChEMBL are accessed with the compound SMILES to provide additional information.
Smiles: CCNC1=NC(=O)C(N1)C

Prediction

Prediction
Each prediction model provides a probability estimate for the prediction. The probability value indicates how confident the classifier is. more..
App-Domain
QSAR model predictions should not be trusted if the query compound is outside of the applicability domain of the model (i.e., if the query compound is dissimilar to the training dataset compounds). more..
Target
active (0.01%)
decoy (99.99%)
possibly outside
Carbonic anhydrase XII
ChEMBL 12209

Fragments


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