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

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FEDERAL UNIVERSITY

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CGRDB2.0: A PYTHON DATABASE MANAGEMENT SYSTEM FOR MOLECULES, REACTIONS, AND CHEMICAL DATA

Form of presentation

Articles in international journals and collections

Year of publication

2022

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Authors, employees of KFU

Varnek Aleksandr , author

Madzhidov Timur Ismailovich, author

Nugmanov Ramil Irekovich, author

Fatykhova Adeliya Albertovna, author

Other authors

Gimadiev Timur , author

Sidorov Pavel , author

Khakimova Aygul , author

Bibliographic description in the original language

Timur Gimadiev, Ramil Nugmanov, Aigul Khakimova, Adeliya Fatykhova, Timur Madzhidov, Pavel Sidorov, Alexandre Varnek (2021). CGRdb2.0: A Python Database Management System for Molecules, Reactions, and Chemical Data. Journal of Chemical Information and Modeling. https://doi.org/10.1021/acs.jcim.1c01105

Keywords

molecule, database, reactions, similarity search

The name of the journal

Journal of Chemical Information and Modeling

Please use this ID to quote from or refer to the card

https://repository.kpfu.ru/eng/?p_id=262421&p_lang=2

Full metadata record

Field DC	Value	Language
dc.contributor.author	Varnek Aleksandr	ru_RU
dc.contributor.author	Madzhidov Timur Ismailovich	ru_RU
dc.contributor.author	Nugmanov Ramil Irekovich	ru_RU
dc.contributor.author	Fatykhova Adeliya Albertovna	ru_RU
dc.contributor.author	Gimadiev Timur	ru_RU
dc.contributor.author	Sidorov Pavel	ru_RU
dc.contributor.author	Khakimova Aygul	ru_RU
dc.date.accessioned	2022-01-01T00:00:00Z	ru_RU
dc.date.available	2022-01-01T00:00:00Z	ru_RU
dc.date.issued	2022	ru_RU
dc.identifier.citation	Timur Gimadiev, Ramil Nugmanov, Aigul Khakimova, Adeliya Fatykhova, Timur Madzhidov, Pavel Sidorov, Alexandre Varnek (2021). CGRdb2.0: A Python Database Management System for Molecules, Reactions, and Chemical Data. Journal of Chemical Information and Modeling. https://doi.org/10.1021/acs.jcim.1c01105	ru_RU
dc.identifier.uri	https://repository.kpfu.ru/eng/?p_id=262421&p_lang=2	ru_RU
dc.description.abstract	Journal of Chemical Information and Modeling	ru_RU
dc.language.iso	ru	ru_RU
dc.subject	molecule	ru_RU
dc.subject	database	ru_RU
dc.subject	reactions	ru_RU
dc.subject	similarity search	ru_RU
dc.title	CGRdb2.0: A Python Database Management System for Molecules, Reactions, and Chemical Data	ru_RU
dc.type	Articles in international journals and collections	ru_RU