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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Podrobná bibliografie
Hlavní autoři: Imrie, F, Bradley, AR, van der Schaar, M, Deane, CM
Médium: Journal article
Jazyk:English
Vydáno: American Chemical Society 2020