Articles with "models linker" as a keyword



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Deep Generative Models for 3D Linker Design

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Published in 2020 at "Journal of Chemical Information and Modeling"

DOI: 10.1021/acs.jcim.9b01120

Abstract: Rational compound design remains a challenging problem for both computational methods and medicinal chemists. Computational generative methods have begun to show promising results for the design problem. However, they have not yet used the power… read more here.

Keywords: linker design; information; design; generative models ... See more keywords