SOMEViz: A web service for site of metabolism estimating and visualizing

Phase i metabolism is an important consideration in drug discovery because it profoundly affects the toxicity and activity profile of a drug candidate. in these metabolic processes,cyp450 family is responsible for the majority of biotransformation events. however,it is still an important challenge to predict sites of metabolism (som) of a new chemical entity due to the complex reaction mechanism and variety in cyp450 enzymes. someviz is an online service designed for predicting and visualizing human cytochromes p450 (cyp450)-mediated sites of metabolism (som) of a molecule,on the basis of a previously reported model [1]. the service provides an access for predicting sites of metabolism 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 gui of someviz offers user a straightforward way to manage and visualize the sites of metabolism (som) prediction results. the service and examples are available free of charge at http://www.dddc.ac.cn/some. © 2012 bentham science publishers.