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Molecular Informatics|December 22, 2016
Quantitative Structure-activity Relationship (QSAR) Models for Docking Score CorrectionYoshifumi Fukunishi, Satoshi Yamasaki, Isao Yasumatsu, et al.Molecular Informatics|March 1, 2019
Application of an Iterative Fragment Selection (IFS) Method to Estimate Entropies of Fusion and Melting Points of Organic ChemicalsTrevor N Brown, James M Armitage, Jon A ArnotMolecular Informatics|November 19, 2016
Proteochemometric Modeling of the Interaction Space of Carbonic Anhydrase and its Inhibitors: An Assessment of Structure-based and Sequence-based DescriptorsBehnam Rasti, Mohsen Namazi, M H Karimi-Jafari, et al.Molecular Informatics|November 22, 2016
Sparse Neural Network Models of Antimicrobial Peptide-Activity RelationshipsAlex T Müller, Aral C Kaymaz, Gisela Gabernet, et al.Molecular Informatics|December 30, 2016
Fragment Prioritization on a Large Mutagenicity DatasetMatteo Floris, Giuseppa Raitano, Ricardo Medda, et al.Molecular Informatics|August 22, 2019
Probing Binding Landscapes and Molecular Recognition Mechanisms of Atypical Antipsychotic Drugs towards the Selective Targeting of D2 Dopamine ReceptorPatrick Appiah-Kubi, Fisayo Andrew Olotu, Mahmoud E S SolimanMolecular Informatics|October 15, 2016
A New Descriptor of Amino Acids-SVGER and its Applications in Peptide QSARJianbo Tong, Lingxiao Li, Min Bai, et al.Molecular Informatics|January 27, 2017
A Pareto Algorithm for Efficient De Novo Design of Multi-functional MoleculesFrits Daeyaert, Micheal W DeemMolecular Informatics|April 19, 2017
Chemoinformatics at IFP Energies Nouvelles: Applications in the Fields of Energy, Transport, and EnvironmentBenoit CretonMolecular Informatics|April 13, 2017
A Fast Algorithm to Compute Conical Pockets in Proteins. Application to the Structural Characterization of γ-Carbonic AnhydrasesMichel PetitjeanPageof 101