Quantifying intrinsic chemical reactivity of molecular structural features for protein binding and reactive toxicity, using the MOSES chemoinformatics system

by Schwöbel Johannes AH, Bienfait Bruno, Gasteiger Johann, Kleinöder Thomas, Marusczyk Jörg, Sacher Oliver, Schwab Christof H, Tarkhov Aleksey, Terfloth Lothar, Cronin Mark TD
Published 2012-05-01