Generating Focused Molecule Libraries for Drug Discovery with Recurrent Neural Networks-Reference-Cited by-同舟云学术

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Generating Focused Molecule Libraries for Drug Discovery with Recurrent Neural Networks

Published:2017-12-28 Issue:1 Volume:4 Page:120-131
ISSN:2374-7943
Container-title:ACS Central Science
language:en
Short-container-title:ACS Cent. Sci.

Author:

Segler Marwin H. S.¹^ORCID,Kogej Thierry²,Tyrchan Christian³,Waller Mark P.⁴^ORCID

Affiliation:

1. Institute of Organic Chemistry & Center for Multiscale Theory and Computation, Westfälische Wilhelms-Universität Münster, 48149 Münster, Germany

2. Hit Discovery, Discovery Sciences, AstraZeneca R&D, Gothenburg, Sweden

3. Department of Medicinal Chemistry, IMED RIA, AstraZeneca R&D, Gothenburg, Sweden

4. Department of Physics & International Centre for Quantum and Molecular Structures, Shanghai University, Shanghai, China

Funder

Deutsche Forschungsgemeinschaft

Shanghai Municipal Education Commission

Publisher

American Chemical Society (ACS)

Subject

General Chemical Engineering,General Chemistry

Link

http://pubs.acs.org/doi/pdf/10.1021/acscentsci.7b00512

Reference79 articles.

1. Reinventing Chemistry

2. De Novo Design at the Edge of Chaos

3. The enumeration of chemical space

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