DRlinker: Deep Reinforcement Learning for Optimization in Fragment Linking Design
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DOI: 10.1021/acs.jcim.2c00982
Abstract: Fragment-based drug discovery is a widely used strategy for drug design in both academic and pharmaceutical industries. Although fragments can be linked to generate candidate compounds by the latest deep generative models, generating linkers with… read more here.
Keywords: fragment linking; reinforcement learning; fragment; drlinker ... See more keywords