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Computational Approaches That Predict Metabolic Intermediate Complex Formation with CYP3A4 (+b₅)
Drug Metab Dispos Jones et al. 35: 1466

Data Supplement

Files in this Data Supplement:

Data Supplement - Supplemental Figure 1. Amines.
Data Supplement - Supplemental Figure 2. Training set molecules.
Data Supplement - Supplemental Figure 3. Test set molecules.
Data Supplement - Supplemental Table 1. Cerius 2 descriptors calculated for training set and test set molecules.

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