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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Veröffentlicht in:	Journal of chemical information and modeling 2020-04, Vol.60 (4), p.1983-1995
Hauptverfasser:	Imrie, Fergus, Bradley, Anthony R, van der Schaar, Mihaela, Deane, Charlotte M
Format:	Artikel
Sprache:	eng
Schlagworte:	Algorithms Chemists Design Machine Learning Models, Molecular Proteins Three dimensional models
Online-Zugang:	Volltext
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