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Hyperbolic relational graph convolution networks plus: a simple but highly efficient QSAR-modeling method., , , , , , и . Briefings Bioinform., (2021)Identification and Preliminary SAR Analysis of Novel Type-I Inhibitors of TIE-2 via Structure-Based Virtual Screening and Biological Evaluation in in vitro Models., , , , , , , и . J. Chem. Inf. Model., 55 (12): 2693-2704 (2015)Computational Modeling Toward Understanding Agonist Binding on Dopamine 3., , , , , , и . J. Chem. Inf. Model., 50 (9): 1633-1643 (2010)Fast and accurate prediction of partial charges using Atom-Path-Descriptor-based machine learning., , , , , и . Bioinform., 36 (18): 4721-4728 (2020)Development of Reliable Aqueous Solubility Models and Their Application in Druglike Analysis., , , , , и . Journal of Chemical Information and Modeling, 47 (4): 1395-1404 (2007)ADME Evaluation in Drug Discovery. 5. Correlation of Caco-2 Permeation with Simple Molecular Properties., , , , и . Journal of Chemical Information and Modeling, 44 (5): 1585-1600 (2004)A GPU based Conformational Entropy Calculation Method., , , , и . IWBBIO, стр. 735-743. Copicentro Editorial, (2013)AAVDiff: Experimental Validation of Enhanced Viability and Diversity in Recombinant Adeno-Associated Virus (AAV) Capsids through Diffusion Generation., , , , , , , , , и 1 other автор(ы). CoRR, (2024)Deep Geometry Handling and Fragment-wise Molecular 3D Graph Generation., , , , , , , , , и 7 other автор(ы). CoRR, (2024)DrugMAP: molecular atlas and pharma-information of all drugs., , , , , , , , , и 4 other автор(ы). Nucleic Acids Res., 51 (D1): 1288-1299 (января 2023)