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SMARTCyp is a tool QSAR model  to predict the sites of cytochrome P450-mediated metabolism of drug like molecules directly from the 2D structure of a molecule. It works based on the idea that activation energies of CYPs reacting with ligand fragments calculated by quantum chemical methods are the best measure for the reactivity of a fragment. While it shows a preference for predicting sites that are metabolized by the cytochrome P450 3A4 isoform, it can be integrated with other methods to produce models for other cytochrome P450 isoforms molecule  \cite{Rydberg_2010}.