GuacaMol: Benchmarking Models for de Novo Molecular Design-Reference-Cited by-同舟云学术

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GuacaMol: Benchmarking Models for de Novo Molecular Design

Published:2019-03-19 Issue:3 Volume:59 Page:1096-1108
ISSN:1549-9596
Container-title:Journal of Chemical Information and Modeling
language:en
Short-container-title:J. Chem. Inf. Model.

Author:

Brown Nathan¹,Fiscato Marco¹,Segler Marwin H.S.¹^ORCID,Vaucher Alain C.¹

Affiliation:

1. BenevolentAI, 4-8 Maple Street, W1T 5HD London, U.K.

Publisher

American Chemical Society (ACS)

Subject

Library and Information Sciences,Computer Science Applications,General Chemical Engineering,General Chemistry

Link

http://pubs.acs.org/doi/pdf/10.1021/acs.jcim.8b00839

Reference93 articles.

1. Multi-objective optimization methods in drug design

2. De novo Molecular Design

3. ZINC − A Free Database of Commercially Available Compounds for Virtual Screening

4. Virtual Compound Libraries in Computer-Assisted Drug Discovery

5. Virtual Chemical Libraries

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