Quantifying intrinsic chemical reactivity of molecular structural features for protein binding and reactive toxicity, using the MOSES chemoinformatics system.
Johannes SchwöbelBruno BienfaitJohann GasteigerThomas KleinöderJörg MarusczykOliver SacherChristof H. SchwabAleksey TarkhovLothar TerflothMark T. D. CroninPublished in: J. Cheminformatics (2012)