Multi-Instance Learning Approach to the Modeling of Enantioselectivity of Conformationally Flexible Organic Catalysts.

Zankov, Dmitry; Madzhidov, Timur; Polishchuk, Pavel; Sidorov, Pavel; Varnek, Alexandre

Zankov, Dmitry; Madzhidov, Timur; Polishchuk, Pavel; Sidorov, Pavel; Varnek, Alexandre.

Afiliação

Zankov D; Laboratory of Chemoinformatics, University of Strasbourg, Strasbourg 67081, France.
Madzhidov T; Institute for Chemical Reaction Design and Discovery (WPI-ICReDD), Hokkaido University, Sapporo 001-0021, Japan.
Polishchuk P; Chemistry Solutions, Elsevier Ltd., Oxford OX5 1GB, United Kingdom.
Sidorov P; Institute of Molecular and Translational Medicine, Palacký University, Olomouc 77900, Czech Republic.
Varnek A; Institute for Chemical Reaction Design and Discovery (WPI-ICReDD), Hokkaido University, Sapporo 001-0021, Japan.

J Chem Inf Model ; 63(21): 6629-6641, 2023 11 13.

Article em En | MEDLINE | ID: mdl-37902548

Assuntos

Catálise

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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Assunto principal: Catálise Idioma: En Revista: J Chem Inf Model Assunto da revista: INFORMATICA MEDICA / QUIMICA Ano de publicação: 2023 Tipo de documento: Article País de afiliação: França

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