Deep neural network model for highly accurate prediction of BODIPYs absorption.

Ksenofontov, Alexander A; Lukanov, Michail M; Bocharov, Pavel S; Berezin, Michail B; Tetko, Igor V

Ksenofontov, Alexander A; Lukanov, Michail M; Bocharov, Pavel S; Berezin, Michail B; Tetko, Igor V.

Afiliación

Ksenofontov AA; G.A. Krestov Institute of Solution Chemistry of the Russian Academy of Sciences, Akademicheskaya Street, 153045 Ivanovo, Russia. Electronic address: ivalex.09@mail.ru.
Lukanov MM; G.A. Krestov Institute of Solution Chemistry of the Russian Academy of Sciences, Akademicheskaya Street, 153045 Ivanovo, Russia; Ivanovo State University of Chemistry and Technology, 7, Sheremetevskiy Avenue, Ivanovo 153000, Russia.
Bocharov PS; G.A. Krestov Institute of Solution Chemistry of the Russian Academy of Sciences, Akademicheskaya Street, 153045 Ivanovo, Russia; Ivanovo State University of Chemistry and Technology, 7, Sheremetevskiy Avenue, Ivanovo 153000, Russia.
Berezin MB; G.A. Krestov Institute of Solution Chemistry of the Russian Academy of Sciences, Akademicheskaya Street, 153045 Ivanovo, Russia.
Tetko IV; G.A. Krestov Institute of Solution Chemistry of the Russian Academy of Sciences, Akademicheskaya Street, 153045 Ivanovo, Russia; Helmholtz Zentrum MünchenGerman Research Center for Environmental Health (GmbH), Institute of Structural Biology, Ingolstädter Landstraße 1, 85764 Neuherberg, Germany; BI

Spectrochim Acta A Mol Biomol Spectrosc ; 267(Pt 2): 120577, 2022 Feb 15.

Article en En | MEDLINE | ID: mdl-34776377

Asunto(s)

Compuestos de Boro; Colorantes Fluorescentes; Cristalografía por Rayos X; Redes Neurales de la Computación

Palabras clave

Absorption maximum wavelength; BODIPY; Deep neural networks; OCHEM; QSPR

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Texto completo: 1 Colección: 01-internacional Base de datos: MEDLINE Asunto principal: Compuestos de Boro / Colorantes Fluorescentes Tipo de estudio: Prognostic_studies / Risk_factors_studies Idioma: En Revista: Spectrochim Acta A Mol Biomol Spectrosc Asunto de la revista: BIOLOGIA MOLECULAR Año: 2022 Tipo del documento: Article Pais de publicación: Reino Unido

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