Additional file 1:

Table S1: Main dataset of CYP2C9 substrate. Table-S2: Main dataset of CYP2C19 substrate. Table-S3: Main dataset of CYP2D6 substrate. Table-S4: Main dataset of CYP3A4 substrate. Table-S5: Training dataset of CYP1A2 substrate. Table-S6: Independent Dataset (149 Molecule). Table-S7: List of 41Descriptors used to build SVM model.. Table-S8: Show 146 molecules, which was used by Terfloth et al, and found CYP biotransformation of only 126 molecules was reported in DrugBank. Out of these, 63 molecules metabolized with more than one CYP isoform.. Table S9: Performance of SVM models developed on CDK and Vlife descriptors, models evaluate using fivefold cross-validated technique. Prediction is based on single label prediction.. Table S10: Percent of correctly predicted substrates (Accuracy) belongs to different CYP isoforms where only single isoform was predicted for each substrate/molecule. Table S11: Performance of SVM models developed for different CYP isoforms, all models evaluated using fivefold cross-validation technique.

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