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Predict Sites of CYP-Mediated Metabolism

The Cytochrome P450 Regioselectivity module in ACD/Percepta provides valuable insights into a compound's metabolic profile early in the drug discovery process when little or no experimental information is available, and labor intensive investigation of each compound in the screening process is prohibited by the large number of compounds involved.

Features

Benefits

To complete the P450 prediction package, ACD/Percepta also offers modules for the prediction of substrates and inhibitors of the five major isoforms of Cytochrome P450, as a complement to early high-throughput screening assays. These modules are trainable with in-house data, so that you can customize the model to better reflect your chemical space.

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