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Molecular Informatics|August 5, 2016
Improving AutoDock Vina Using Random Forest: The Growing Accuracy of Binding Affinity Prediction by the Effective Exploitation of Larger Data SetsHongjian Li, Kwong-Sak Leung, Man-Hon Wong, et al.Molecular Informatics|August 5, 2016
Hit Expansion from Screening Data Based upon Conditional Probabilities of Activity Derived from SAR MatricesDisha Gupta-Ostermann, Jenny Balfer, Jürgen BajorathMolecular Informatics|August 5, 2016
Towards Better BBB Passage Prediction Using an Extensive and Curated Data SetYoan Brito-Sánchez, Yovani Marrero-Ponce, Stephen J Barigye, et al.Molecular Informatics|August 5, 2016
Physicochemical Profiles of the Marketed Agrochemicals and Clues for Agrochemical Lead Discovery and Screening Library DevelopmentHanbing Rao, Changxin Huangfu, Yanying Wang, et al.Molecular Informatics|August 5, 2016
Perspectives of Halogen Bonding Description in Scoring Functions and QSAR/QSPR: Substituent Effects in Aromatic CoreOleg I Titov, Dmitry A Shulga, Vladimir A Palyulin, et al.Molecular Informatics|August 5, 2016
Pharmacophore-Based Virtual Screening to Discover New Active Compounds for Human Choline Kinase α1Lucía Serrán-Aguilera, Roberto Nuti, Luisa C López-Cara, et al.Molecular Informatics|August 5, 2016
Peptide Binding Prediction to Five Most Frequent HLA-DQ Proteins - a Proteochemometric ApproachIvan Dimitrov, Irini DoytchinovaMolecular Informatics|August 5, 2016
Integrative Modeling Strategies for Predicting Drug Toxicities at the eTOX ProjectFerran Sanz, Pau Carrió, Oriol López, et al.Molecular Informatics|August 5, 2016
Virtual Screening for HIV Protease Inhibitors Using a Novel Database Filtering ProcedureKalev Takkis, Alfonso T García-Sosa, Sulev SildMolecular Informatics|August 5, 2016
NMR-Assisted Molecular Docking MethodologiesMattia Sturlese, Massimo Bellanda, Stefano MoroPageof 102