Open AccessCombined Application of Cheminformatics- and Physical Force Field-Based Scoring Functions Improves Binding Affinity Prediction for CSAR Data Sets
Author(s) -
Jui-Hua Hsieh,
Shuangye Yin,
Shubin Liu,
Alexander Sedykh,
Nikolay V. Dokholyan,
Alexander Tropsha
Publication year - 2011
Publication title -
carolina digital repository (university of north carolina at chapel hill)
Language(s) - English
DOI - 10.17615/ah2b-6a94
Subject(s) - cheminformatics , force field (fiction) , field (mathematics) , computer science , data mining , machine learning , computational biology , artificial intelligence , bioinformatics , mathematics , biology , pure mathematics