Predicts activity of small molecules on inhibition of CYP3A4. The high-throughput screen assayed the inhibition of cytochrome P450 3A4 (CYP3A4) on a data set of 10,500 molecules. CYP3A4 is involved in the metabolism and clearance of xenobiotics. The data for this case study was acquired through PubChem bioassay ID 884.

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