Predicts and visualizes human cytochromes P450 (CYP450)-mediated sites of metabolism (SOM) of a molecule, on the basis of a previously reported model. SOMEViz provides an access for predicting SOM of molecules with reasonable accuracy, and predicted results are shown in a user-friendly as well as interactive way, which may help chemists explore metabolism properties of chemicals in the early stage of drug discovery. The web-based graphical user interface (GUI) of SOMEViz offers user a straightforward way to manage and visualize the SOM prediction results.
Drug Discovery and Design Center, State Key Laboratory of Drug Research, Shanghai Institute of Materia Medica, Chinese Academy of Sciences, Shanghai, China
SOMEViz funding source(s)
This work is supported by the State Key Laboratory of Drug Research, the State Key Program of Basic Research of China (Grant 2009CB918502), the National Natural Science Foundation of China (Grant 81001399 and 21021063) and Hi-Tech Research and Development Program of China (SS2012AA021103).