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Graph-based generative models for de Novo drug design
Institution:1. Key Laboratory of Biorheological Science and Technology (Ministry of Education), Chongqing University, Chongqing, 400044, China;2. College of Bioengineering, Chongqing University, Chongqing, 400044, China;1. State Key Laboratory of Crystal Materials, Shandong University, Ji''nan, 250100, China;2. Key Laboratory of Functional Crystal Materials and Devices of MOE, Shandong University, Ji''nan, 250100, China;1. Molecular AI, Discovery Sciences, R&D, AstraZeneca, Gothenburg, Sweden;2. Medicinal Chemistry, Research and Early Development, Oncology R&D, AstraZeneca, Cambridge, UK;3. Medicinal Chemistry, Research and Early Development, Cardiovascular, Renal and Metabolism (CVRM), BioPharmaceuticals R&D, AstraZeneca, Gothenburg, Sweden;1. Hit Discovery, Discovery Sciences, Biopharmaceutics R&D, AstraZeneca, Gothenburg, Sweden;1. Hit Discovery, Discovery Sciences, Innovative Medicines and Early Development Biotech Unit, AstraZeneca R&D Gothenburg, Mölndal 43183, Sweden;2. Quantitative Biology, Discovery Sciences, Innovative Medicines and Early Development Biotech Unit, AstraZeneca, Unit 310, Cambridge Science Park, Milton Road, Cambridge CB4 0WG, UK
Abstract:
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