A general approach for retrosynthetic molecular core analysis.

Naveja, J Jesús; Pilón-Jiménez, B Angélica; Bajorath, Jürgen; Medina-Franco, José L

Naveja, J Jesús; Pilón-Jiménez, B Angélica; Bajorath, Jürgen; Medina-Franco, José L.

Afiliação

Naveja JJ; PECEM, School of Medicine, Universidad Nacional Autónoma de México, Avenida Universidad 3000, 04510, Mexico City, Mexico. naveja@comunidad.unam.mx.
Pilón-Jiménez BA; Department of Pharmacy, School of Chemistry, Universidad Nacional Autónoma de México, Avenida Universidad 3000, 04510, Mexico City, Mexico. naveja@comunidad.unam.mx.
Bajorath J; Department of Pharmacy, School of Chemistry, Universidad Nacional Autónoma de México, Avenida Universidad 3000, 04510, Mexico City, Mexico.
Medina-Franco JL; Department of Life Science Informatics, B-IT, LIMES Program Unit Chemical Biology and Medicinal Chemistry, Rheinische Friedrich-Wilhelms-Universität, Endenicher Allee 19c, 53115, Bonn, Germany.

J Cheminform ; 11(1): 61, 2019 Sep 24.

Article em En | MEDLINE | ID: mdl-33430974

Palavras-chave

Analog searching; Analog series-based scaffold; Core structureproperty relationships (CSPR); RECAP; Scaffold; Virtual screening

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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Idioma: En Revista: J Cheminform Ano de publicação: 2019 Tipo de documento: Article País de afiliação: México País de publicação: Reino Unido

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