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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)Hyperbolic relational graph convolution networks plus: a simple but highly efficient QSAR-modeling method., , , , , , и . Briefings Bioinform., (2021)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)Deep Geometry Handling and Fragment-wise Molecular 3D Graph Generation., , , , , , , , , и 7 other автор(ы). CoRR, (2024)Real-time performance of textile electrodes in electromyogram pattern-recognition based prosthesis control., , , и . BHI, стр. 487-490. IEEE, (2012)Learning with uncertainty to accelerate the discovery of histone lysine-specific demethylase 1A (KDM1A/LSD1) inhibitors., , , , , , , , , и . Briefings Bioinform., (января 2023)Token-Mol 1.0: Tokenized drug design with large language model., , , , , , , , , и 10 other автор(ы). CoRR, (2024)Design of networked monitoring system of PV grid-connected power plant., , , и . EMEIT, стр. 1169-1172. IEEE, (2011)Could graph neural networks learn better molecular representation for drug discovery? A comparison study of descriptor-based and graph-based models., , , , , , , , , и . J. Cheminformatics, 13 (1): 12 (2021)ADMET Evaluation in Drug Discovery. 19. Reliable Prediction of Human Cytochrome P450 Inhibition Using Artificial Intelligence Approaches., , , , , и . J. Chem. Inf. Model., 59 (11): 4587-4601 (2019)