Accurate prediction of <sup>11</sup>B NMR chemical shift of BODIPYs <i>via</i> machine learning-Reference-Cited by-同舟云学术

Accurate prediction of ¹¹B NMR chemical shift of BODIPYs via machine learning

Published:2023 Issue:13 Volume:25 Page:9472-9481
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Ksenofontov Alexander A.¹^ORCID,Isaev Yaroslav I.¹²,Lukanov Michail M.¹,Makarov Dmitry M.¹^ORCID,Eventova Varvara A.¹²,Khodov Ilya A.¹^ORCID,Berezin Mechail B.¹

Affiliation:

1. G.A. Krestov Institute of Solution Chemistry of the Russian Academy of Sciences, Akademicheskaya Street, 153045 Ivanovo, Russia

2. Ivanovo State University of Chemistry and Technology, 7, Sheremetevskiy Avenue, Ivanovo 153000, Russia

Abstract

We present the results of developing a new model based on machine learning methods for predicting the 11B NMR chemical shift of boron-containing dyes.

Funder

Ministry of Science and Higher Education of the Russian Federation

Russian Science Foundation

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2023/CP/D3CP00253E

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