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Molecular Informatics|July 28, 2016
Best Practices for QSAR Model Development, Validation, and ExploitationAlexander TropshaMolecular Informatics|July 28, 2016
Are Mechanistic and Statistical QSAR Approaches Really Different? MLR Studies on 158 Cycloalkyl-PyranonesBarun Bhhatarai, Rajni Garg, Paola GramaticaMolecular Informatics|July 28, 2016
QSPR Analysis of Copolymers by Recursive Neural Networks: Prediction of the Glass Transition Temperature of (Meth)acrylic Random CopolymersCarlo Giuseppe Bertinetto, Celia Duce, Alessio Micheli, et al.Molecular Informatics|July 28, 2016
Structuring Chemical Space: Similarity-Based Characterization of the PubChem DatabaseGiovanni Cincilla, Michael Thormann, Miquel PonsMolecular Informatics|July 28, 2016
Using In Silico Tools in a Weight of Evidence Approach to Aid Toxicological AssessmentClaire M Ellison, Judith C Madden, Philip Judson, et al.Molecular Informatics|July 28, 2016
Predicting Putative Inhibitors of 17β-HSD1Lennart Heinzerling, Rolf W Hartmann, Martin Frotscher, et al.Molecular Informatics|July 28, 2016
Estimation of Acid Dissociation Constants Using Graph KernelsMatthias Rupp, Robert Körner, Igor V TetkoMolecular Informatics|July 28, 2016
Visualization of Molecular Selectivity and Structure Generation for Selective Dopamine InhibitorsKiyoshi Hasegawa, Migita Keiya, Kimito FunatsuMolecular Informatics|July 28, 2016
QSAR Analysis Involving Assay Results Which are only Known to be Greater Than, or Less Than Some Cut-off LimitPeter LindMolecular Informatics|July 28, 2016
ISIDA Property-Labelled Fragment DescriptorsFiorella Ruggiu, Gilles Marcou, Alexandre Varnek, et al.Pageof 101