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

Authors :
Alexander A. Ksenofontov
Yaroslav I. Isaev
Michail M. Lukanov
Dmitry M. Makarov
Varvara A. Eventova
Ilya A. Khodov
Mechail B. Berezin
Source :
Physical Chemistry Chemical Physics. 25:9472-9481
Publication Year :
2023
Publisher :
Royal Society of Chemistry (RSC), 2023.

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.

Details

ISSN :
14639084 and 14639076
Volume :
25
Database :
OpenAIRE
Journal :
Physical Chemistry Chemical Physics
Accession number :
edsair.doi...........71ca2b903fb1e6f3cd049ce359c2a5e0
Full Text :
https://doi.org/10.1039/d3cp00253e