Rapid activity prediction of HIV-1 integrase inhibitors: harnessing docking energetic components for empirical scoring by chemometric and artificial neural network approaches

Patcharapong Thangsunan, Sila Kittiwachana, Puttinan Meepowpan, Nawee Kungwan, Panchika Prangkio, Supa Hannongbua, Nuttee Suree. Rapid activity prediction of HIV-1 integrase inhibitors: harnessing docking energetic components for empirical scoring by chemometric and artificial neural network approaches. Journal of Computer-Aided Molecular Design, 30(6):471-488, 2016. [doi]

Abstract

Abstract is missing.