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Molecular Informatics|August 4, 2016
Exploring Activity Cliffs from a Chemoinformatics PerspectiveJürgen Bajorath
Molecular Informatics|August 4, 2016
BioGPS: The Music for the Chemo- and Bioinformatics WalzerLydia Siragusa, Francesca Spyrakis, Laura Goracci, et al.
Molecular Informatics|August 4, 2016
Network Analysis of Publications on Topological Indices from the Web of ScienceJernej Bodlaj, Vladimir Batagelj
Molecular Informatics|August 5, 2016
Analysis of the Resistance of Hepatitis C Virus NS5B Polymerase Inhibitors via Docking and Molecular Dynamics SimulationTanaporn Uengwetwanit, Dina Robaa, Wolfgang Sippl
Molecular Informatics|August 5, 2016
Molecular Determinants for the Binding Mode of Alkylphosphocholines in the C2 Domain of PKCαMatheus M de Sá, Carlota O Rangel-Yagui
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 Bajorath
Molecular 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.
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