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Out-of-the-box deep learning prediction of quantum-mechanical partial charges by graph representation and transfer learning., , , , , , , , и . Briefings Bioinform., (2022)DeepChargePredictor: a web server for predicting QM-based atomic charges via state-of-the-art machine-learning algorithms., , , , , , , , и . Bioinform., 37 (22): 4255-4257 (ноября 2021)Molecular Generation with Reduced Labeling through Constraint Architecture., , , , , , , , , и 2 other автор(ы). J. Chem. Inf. Model., 63 (11): 3319-3327 (июня 2023)DeepAtomicCharge: a new graph convolutional network-based architecture for accurate prediction of atomic charges., , , , , , , , и . Briefings Bioinform., (2021)Genetic Algorithm-Based Receptor Ligand: A Genetic Algorithm-Guided Generative Model to Boost the Novelty and Drug-Likeness of Molecules in a Sampling Chemical Space., , , , , , , , , и 2 other автор(ы). J. Chem. Inf. Model., 64 (4): 1213-1228 (февраля 2024)Comprehensive assessment of deep generative architectures for de novo drug design., , , , , , , , и . Briefings Bioinform., (2022)METRO: Magnetic Road Markings for All-weather, Smart Roads., , , , , , , , и . SenSys, стр. 280-293. ACM, (2023)CODD-Pred: A Web Server for Efficient Target Identification and Bioactivity Prediction of Small Molecules., , , , , , , , , и . J. Chem. Inf. Model., 63 (20): 6169-6176 (октября 2023)Organic Compound Synthetic Accessibility Prediction Based on the Graph Attention Mechanism., , , , , , , и . J. Chem. Inf. Model., 62 (12): 2973-2986 (2022)Multi-constraint molecular generation based on conditional transformer, knowledge distillation and reinforcement learning., , , , , , , , , и 3 other автор(ы). Nat. Mach. Intell., 3 (10): 914-922 (2021)