23 04 10 - Filed in: Cheminformatics
SMARTCyp is a method for prediction of which sites in a molecule that are labile for metabolism by Cytochromes P450 isoform 3A4. It is also a reactivity model which is applicable to all P450 isoforms. The implementation is in the form of a java program using the CDK and JChemPaint java libraries. The program has been tested on Linux, MacOS X and Windows XP, but it should work on any platform.