Conjugated Quantitative Structure–Property Relationship Models: Application to Simultaneous Prediction of Tautomeric Equilibrium Constants and Acidity of Molecules-Reference-Cited by-同舟云学术

Conjugated Quantitative Structure–Property Relationship Models: Application to Simultaneous Prediction of Tautomeric Equilibrium Constants and Acidity of Molecules

Published:2019-10-22 Issue:11 Volume:59 Page:4569-4576
ISSN:1549-9596
Container-title:Journal of Chemical Information and Modeling
language:en
Short-container-title:J. Chem. Inf. Model.

Author:

Zankov Dmitry V.¹^ORCID,Madzhidov Timur I.¹^ORCID,Rakhimbekova Assima¹^ORCID,Gimadiev Timur R.¹^ORCID,Nugmanov Ramil I.¹^ORCID,Kazymova Marina A.¹^ORCID,Baskin Igor I.¹²^ORCID,Varnek Alexandre³⁴^ORCID

Affiliation:

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

2. Faculty of Physics, Moscow State University, Vorob’evy gory 1, 119234 Moscow, Russia

3. Laboratory of Chemoinformatics, UMR 7140 CNRS, University of Strasbourg, 1, rue Blaise Pascal, 67000 Strasbourg, France

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

Funder

Russian Science Foundation

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.9b00722

Reference43 articles.

1. Tautomerism in Computer‐Aided Drug Design

2. Tautomers and reference 3D-structures: the orphans of in silico drug design

3. Tautomerism in chemical information management systems

4. So you think you understand tautomerism?

5. Tautomerism in drug discovery

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