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Bovine Serum Amine Oxidase and Polyamine Analogues: Chemical Synthesis and Biological Evaluation Integrated with Molecular Docking and 3-D QSAR Studies., , , , , , , , , и 6 other автор(ы). J. Chem. Inf. Model., 62 (16): 3910-3927 (2022)Explainable AI in drug discovery: self-interpretable graph neural network for molecular property prediction using concept whitening., , , , и . Mach. Learn., 113 (4): 2013-2044 (апреля 2024)3-D QSAR Studies on Histone Deacetylase Inhibitors. A GOLPE/GRID Approach on Different Series of Compounds., , , , и . Journal of Chemical Information and Modeling, 46 (3): 1420-1430 (2006)Vascular endothelial growth factor receptor-2 (VEGFR-2) inhibitors: development and validation of predictive 3-D QSAR models through extensive ligand- and structure-based approaches., , , , , , , и . J. Comput. Aided Mol. Des., 29 (8): 757-776 (2015)www.3d-qsar.com: a web portal that brings 3-D QSAR to all electronic devices - the Py-CoMFA web application as tool to build models from pre-aligned datasets.. J. Comput. Aided Mol. Des., 33 (9): 855-864 (2019)Small-Molecule Interferon Inducers. Toward the Comprehension of the Molecular Determinants through Ligand-Based Approaches., , , и . Journal of Chemical Information and Modeling, 49 (7): 1777-1786 (2009)Pharmacophore Assessment Through 3-D QSAR: Evaluation of the Predictive Ability on New Derivatives by the Application on a Series of Antitubercular Agents., , , , , , , , , и 2 other автор(ы). J. Chem. Inf. Model., 53 (6): 1463-1474 (2013)Human Estrogen Receptor α Antagonists. Part 1: 3-D QSAR-Driven Rational Design of Innovative Coumarin-Related Antiestrogens as Breast Cancer Suppressants through Structure-Based and Ligand-Based Studies., , , , , , , , и . J. Chem. Inf. Model., 61 (10): 5028-5053 (2021)Combining 3-D Quantitative Structure-Activity Relationship with Ligand Based and Structure Based Alignment Procedures for in Silico Screening of New Hepatitis C Virus NS5B Polymerase Inhibitors., , , , , и . Journal of Chemical Information and Modeling, 50 (4): 662-676 (2010)Hsp90 Inhibitors, Part 1: Definition of 3-D QSAutogrid/R Models as a Tool for Virtual Screening., , , и . Journal of Chemical Information and Modeling, 54 (3): 956-969 (2014)