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Generative Models for De Novo Drug Desig. Journal of Medicinal Chemistry . 2021. pdf |
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3CLpro inhibitors: DEL-based molecular generation. FRONTIERS IN PHARMACOLOGY.2023 pdf |
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Advances and Challenges in De Novo Drug Design Using Three-Dimensional Deep Generative Models. JOURNAL OF CHEMICAL INFORMATION AND MODELING. 2022 pdf |
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V-Dock: Fast Generation of Novel Drug-like Molecules Using Machine-Learning-Based Docking Score and Molecular Optimization. INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES. 2021 pdf |
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Generative deep learning enables the discovery of a potent and selective RIPK1 inhibitor. NATURE COMMUNICATIONS .2022 pdf |
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A deep generative model for molecule optimization via one fragment modification. NATURE MACHINE INTELLIGENCE. 2021 pdf |
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Generative models for molecular discovery: Recent advances and challenges. WILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE. 2022 pdf |
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ChemistGA: A Chemical Synthesizable Accessible Molecular Generation Algorithm for Real-World Drug Discovery. JOURNAL OF MEDICINAL CHEMISTRY. 2022 |
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Molecular generation by Fast Assembly of (Deep)SMILES fragments. JOURNAL OF CHEMINFORMATICS. 2021 pdf
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Generative Deep Learning for Targeted Compound Design. JOURNAL OF CHEMICAL INFORMATION AND MODELING. 2021 pdf |
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