CGRdb2.0: A Python Database Management System for Molecules, Reactions, and Chemical Data-Reference-Cited by-同舟云学术

CGRdb2.0: A Python Database Management System for Molecules, Reactions, and Chemical Data

Published:2021-11-29 Issue: Volume: Page:
ISSN:1549-9596
Container-title:Journal of Chemical Information and Modeling
language:en
Short-container-title:J. Chem. Inf. Model.

Author:

Gimadiev Timur¹^ORCID,Nugmanov Ramil²^ORCID,Khakimova Aigul³,Fatykhova Adeliya²,Madzhidov Timur²^ORCID,Sidorov Pavel¹^ORCID,Varnek Alexandre¹⁴^ORCID

Affiliation:

1. Institute for Chemical Reaction Design and Discovery (WPI-ICReDD), Hokkaido University, Kita 21 Nishi 10, Kita-ku, 001-0021 Sapporo, Japan

2. Laboratory of Chemoinformatics and Molecular Modeling, Butlerov Institute of Chemistry, Kazan Federal University, 18, Kremlyovskaya str., 420008 Kazan, Russia

3. JSC ≪BIOCAD≫, Petrodvortsoviy District, Strelna, Svyazi st., Bld. 34, Liter A, 198515 St. Petersburg, Russia

4. Laboratory of Chemoinformatics, UMR 7140 CNRS, University of Strasbourg, 4, Blaise Pascal Str., 67081 Strasbourg, France

Funder

Kazan Federal University

Institute for Chemical Reaction Design and Discovery, Hokkaido University

Publisher

American Chemical Society (ACS)

Subject

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

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jcim.1c01105

Reference23 articles.

1. The Chemistry Development Kit (CDK) v2.0: atom typing, depiction, molecular formulas, and substructure searching

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3. Sachem: a chemical cartridge for high-performance substructure search

4. Bingo from SciTouch LLC: chemistry cartridge for Oracle database

5. OrChem - An open source chemistry search engine for Oracle®

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