KFU. Card publication. CGRtools: Python Library for Molecule, Reaction, and Condensed Graph of Reaction Processing

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FEDERAL UNIVERSITY

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CGRTOOLS: PYTHON LIBRARY FOR MOLECULE, REACTION, AND CONDENSED GRAPH OF REACTION PROCESSING

Form of presentation

Articles in international journals and collections

Year of publication

2019

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Authors, employees of KFU

Gimadiev Timur Rustemovich, author

Madzhidov Timur Ismailovich, author

Nugmanov Ramil Irekovich, author

Other authors

Akhmetshin Tagir; Varnek A.

Authors, postgraduates KFU

Afonina Valentina Aleksandrovna, postgraduate kfu

Mukhametgaleev Ravil Nailevich, postgraduate kfu

Authors, students KFU

Akhmetshin Tagir Nailevich, author

Bibliographic description in the original language

CGRtools: Python Library for Molecule, Reaction, and Condensed Graph of Reaction Processing / R.I. Nugmanov, R.N. Mukhametgaleev, T. Akhmetshin, T.R. Gimadiev, V.A. Afonina, T.I. Madzhidov, A. Varnek // Journal of Chemical Information and Modeling. - 2019. - Vol. 59, Is. 6. - P. 2516-2521

Keywords

condensed graph of reaction, open-source Python library

The name of the journal

Journal of Chemical Information and Modeling

URL

https://pubs.acs.org/doi/10.1021/acs.jcim.9b00102

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

https://repository.kpfu.ru/eng/?p_id=203791&p_lang=2

Full metadata record

Field DC	Value	Language
dc.contributor.author	Gimadiev Timur Rustemovich	ru_RU
dc.contributor.author	Madzhidov Timur Ismailovich	ru_RU
dc.contributor.author	Nugmanov Ramil Irekovich	ru_RU
dc.contributor.author	Akhmetshin Tagir Nailevich	ru_RU
dc.contributor.author	Afonina Valentina Aleksandrovna	ru_RU
dc.contributor.author	Mukhametgaleev Ravil Nailevich	ru_RU
dc.date.accessioned	2019-01-01T00:00:00Z	ru_RU
dc.date.available	2019-01-01T00:00:00Z	ru_RU
dc.date.issued	2019	ru_RU
dc.identifier.citation	CGRtools: Python Library for Molecule, Reaction, and Condensed Graph of Reaction Processing / R.I. Nugmanov, R.N. Mukhametgaleev, T. Akhmetshin, T.R. Gimadiev, V.A. Afonina, T.I. Madzhidov, A. Varnek // Journal of Chemical Information and Modeling. - 2019. - Vol. 59, Is. 6. - P. 2516-2521	ru_RU
dc.identifier.uri	https://repository.kpfu.ru/eng/?p_id=203791&p_lang=2	ru_RU
dc.description.abstract	Journal of Chemical Information and Modeling	ru_RU
dc.language.iso	ru	ru_RU
dc.subject	condensed graph of reaction	ru_RU
dc.subject	open-source Python library	ru_RU
dc.title	CGRtools: Python Library for Molecule, Reaction, and Condensed Graph of Reaction Processing	ru_RU
dc.type	Articles in international journals and collections	ru_RU