Deep generative models for 3D linker design

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 of three-dimensional (3D) structural information. We h...

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Bibliografske podrobnosti
Main Authors: Imrie, F, Bradley, AR, van der Schaar, M, Deane, CM
Format: Journal article
Jezik:English
Izdano: American Chemical Society 2020