Ligand-Based Virtual Screening Using Graph Edit Distance as Molecular Similarity Measure-Reference-Cited by-同舟云学术

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Ligand-Based Virtual Screening Using Graph Edit Distance as Molecular Similarity Measure

Published:2019-03-28 Issue:4 Volume:59 Page:1410-1421
ISSN:1549-9596
Container-title:Journal of Chemical Information and Modeling
language:en
Short-container-title:J. Chem. Inf. Model.

Author:

Garcia-Hernandez Carlos¹^ORCID,Fernández Alberto¹^ORCID,Serratosa Francesc²^ORCID

Affiliation:

1. Departament d’Enginyeria Química, Universitat Rovira i Virgili, Tarragona, Catalunya 43007, Spain

2. Departament d’Enginyeria Informàtica i Matemàtiques, Universitat Rovira i Virgili, Tarragona, Catalunya 43007, Spain

Funder

European Commission

H2020 LEIT Information and Communication Technologies

European Regional Development Fund

Ministerio de Econom?a y Competitividad

H2020 Marie Sklodowska-Curie Actions

Universitat Rovira i Virgili

Agencia Estatal de Investigaci?n

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.8b00820

Reference62 articles.

1. Virtual Screening for Bioactive Molecules by Evolutionary De Novo Design

2. Selected Concepts and Investigations in Compound Classification, Molecular Descriptor Analysis, and Virtual Screening

3. The Future of Virtual Compound Screening

4. Molecular fingerprint similarity search in virtual screening

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