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Molecular Informatics|August 2, 2016
Nearly no Scoring Function Without a Hansch-AnalysisNadine Schneider, Robert Klein, Gudrun Lange, et al.
Molecular Informatics|July 28, 2016
In Pursuit of Fully Flexible Protein-Ligand Docking: Modeling the Bilateral Mechanism of BindingAngela M Henzler, Matthias Rarey
Molecular Informatics|July 28, 2016
Structure-Based Approaches to Target Fishing and Ligand ProfilingDidier Rognan
Molecular Informatics|July 28, 2016
Prediction of Microporous Aluminophosphate AlPO4 -5 Based on Resampling Using Partial Least Squares and Logistic DiscriminationMiao Qi, Yinghua Lu, Jianzhong Wang, et al.
Molecular Informatics|July 28, 2016
Graph Kernels for Molecular SimilarityMatthias Rupp, Gisbert Schneider
Molecular Informatics|July 28, 2016
Novel Approach for Clustering Zeolite Crystal StructuresM Lach-Hab, S Yang, I I Vaisman, et al.
Molecular Informatics|July 28, 2016
Prioritizing Hits with Appropriate Trade-Offs Between HIV-1 Reverse Transcriptase Inhibitory Efficacy and MT4 Blood Cells Toxicity Through Desirability-Based Multiobjective Optimization and RankingMaykel Cruz-Monteagudo, Hai PhamThe, M Natalia D S Cordeiro, et al.
Molecular Informatics|July 28, 2016
Finding Inspiration in the Protein Data Bank to Chemically Antagonize Readers of the Histone CodeValérie Campagna-Slater, Matthieu Schapira
Molecular Informatics|July 28, 2016
Identifying Novel Type ZBGs and Nonhydroxamate HDAC Inhibitors Through a SVM Based Virtual Screening ApproachX H Liu, H Y Song, J X Zhang, et al.
Molecular Informatics|July 28, 2016
Probabilistic Modeling of Conformational Space for 3D Machine Learning ApproachesAndreas Jahn, Georg Hinselmann, Nikolas Fechner, et al.
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