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Data Sharing in Chemistry: Lessons Learned and a Case for Mandating Structured Reaction Data., , и . J. Chem. Inf. Model., 63 (14): 4253-4265 (июля 2023)Amortized Tree Generation for Bottom-up Synthesis Planning and Synthesizable Molecular Design., , и . CoRR, (2021)De Novo Drug Design Using Reinforcement Learning with Graph-Based Deep Generative Models., , , , и . J. Chem. Inf. Model., 62 (20): 4863-4872 (2022)Exploring Graph Traversal Algorithms in Graph-Based Molecular Generation., , и . J. Chem. Inf. Model., 62 (9): 2093-2100 (2022)Do Chemformers Dream of Organic Matter? Evaluating a Transformer Model for Multistep Retrosynthesis., , , , , , , и . J. Chem. Inf. Model., 64 (8): 3021-3033 (2024)Comparative Study of Deep Generative Models on Chemical Space Coverage., , , и . J. Chem. Inf. Model., 61 (6): 2572-2581 (2021)Graph networks for molecular design., , , , , , и . Mach. Learn. Sci. Technol., 2 (2): 25023 (2021)De novo PROTAC design using graph-based deep generative models., , и . CoRR, (2022)Molecular representations in AI-driven drug discovery: a review and practical guide., , , и . J. Cheminformatics, 12 (1): 56 (2020)Amortized Tree Generation for Bottom-up Synthesis Planning and Synthesizable Molecular Design., , и . ICLR, OpenReview.net, (2022)