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Molecular Informatics|November 22, 2016
Multiple-parameter Optimization in Drug Discovery: Example of the 5-HT1B GPCRRobert Charles Glen, Warren R J D Galloway, David R Spring, et al.
Molecular Informatics|November 22, 2016
The Art of Compiling Protein Binding Site EnsemblesStefan Bietz, Rainer Fährrolfes, Matthias Rarey
Molecular Informatics|November 22, 2016
Materials Informatics: Statistical Modeling in Material ScienceAbraham Yosipof, Klimentiy Shimanovich, Hanoch Senderowitz
Molecular Informatics|October 27, 2016
Performance of Deep and Shallow Neural Networks, the Universal Approximation Theorem, Activity Cliffs, and QSARDavid A Winkler, Tu C Le
Molecular Informatics|August 28, 2022
A Scaffold-based Deep Generative Model Considering Molecular Stereochemical InformationTianxu Xu, Minjun Wang, Xiaoqian Liu, et al.
Molecular Informatics|August 3, 2019
Investigation of Factors Affecting the Performance of in silico Volume Distribution QSAR Models for Human, Rat, Mouse, Dog & MonkeySaw Simeon, Dino Montanari, Matthew Paul Gleeson
Molecular Informatics|September 11, 2019
Property Prediction of Organic Donor Molecules for Photovoltaic Applications Using Extremely Randomized TreesArindam Paul, Alona Furmanchuk, Wei-Keng Liao, et al.
Molecular Informatics|April 20, 2017
Generative Topographic Mapping of Conformational SpaceDragos Horvath, Igor Baskin, Gilles Marcou, et al.
Molecular Informatics|September 8, 2022
Overlap of On-demand Ultra-large Combinatorial Spaces with On-the-shelf Drug-like LibrariesMariana Perebyinis, Didier Rognan
Molecular Informatics|October 16, 2024
Review of the 8th autumn school in chemoinformaticsJohann Gasteiger
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