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CYP Metabolism Prediction

CYP-MAP predicts the Site of Metabolism (SoM) by CYP enzymes and the structure of metabolites that may result from this metabolism.

CYP Metabolism Illustration

Input SMILES Code

CYP(All): A model trained on molecules metabolized by all 9 CYP subtypes without distinction.

CYP(9 Subtypes): A model trained to distinguish between the 9 CYP subtypes, providing detailed predictions for each subtype.
Default: Moderate recall with higher precision; suitable for focused, accurate predictions.

Broad: Higher recall with broader coverage; ideal for exploratory or comprehensive metabolite profiling.
SoM + Metabolite: Displays predicted SoM and corresponding metabolites, highlighting only the SoM linked to each metabolite. Metabolite generation depends on SoM prediction, reaction type, and SMIRKS coverage.

SoM only: Displays the predicted Site of Metabolism only.
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