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

Author

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

Subjects
General Physics and Astronomy, Physical and Theoretical Chemistry
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.

Published
2023
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