Combined Application of Cheminformatics- and Physical Force Field-Based Scoring Functions Improves Binding Affinity Prediction for CSAR Data Sets.
Jui-Hua HsiehShuangye YinShubin LiuAlexander SedykhNikolay V. DokholyanAlexander TropshaPublished in: J. Chem. Inf. Model. (2011)