Automated De Novo Design in Medicinal Chemistry: Which Types of Chemistry Does a Generative Neural Network Learn?
Author:
Affiliation:
1. Synthetic Molecular Design, Integrated Drug Discovery, Sanofi-Aventis Deutschland GmbH, Industriepark Höchst, D-65926 Frankfurt am Main, Germany
Publisher
American Chemical Society (ACS)
Subject
Drug Discovery,Molecular Medicine
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jmedchem.9b02044
Reference92 articles.
1. The next level in chemical space navigation: going far beyond enumerable compound libraries
2. Virtual Chemical Libraries
3. Virtual Compound Libraries in Computer-Assisted Drug Discovery
4. Automated De Novo Drug Design: Are We Nearly There Yet?
5. De Novo Design at the Edge of Chaos
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