"Ask Ernö": a self-learning tool for assignment and prediction of nuclear magnetic resonance spectra.

Castillo, Andrés M; Bernal, Andrés; Dieden, Reiner; Patiny, Luc; Wist, Julien

Castillo, Andrés M; Bernal, Andrés; Dieden, Reiner; Patiny, Luc; Wist, Julien.

Afiliação

Castillo AM; Facultad de Ingeniería, Universidad Nacional de Colombia, Bogotá D.C., Colombia ; Chemistry Department, Universidad del Valle, Cali, Colombia.
Bernal A; Chemistry Department, Universidad del Valle, Cali, Colombia.
Dieden R; Analytical Research Center, R&T - Flavors Division EAME, Symrise, Holzminden, Germany.
Patiny L; Institute of Chemical Sciences and Engineering, Ecole Polytechnique Fédérale de Lausanne, 1015 Lausanne, Switzerland.
Wist J; Chemistry Department, Universidad del Valle, Cali, Colombia.

J Cheminform ; 8: 26, 2016.

Article em En | MEDLINE | ID: mdl-27158267

Palavras-chave

Automatic assignment; Chemical shift prediction; HOSE codes; Machine learning; Nuclear magnetic resonance; Peak-picking

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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Tipo de estudo: Prognostic_studies / Risk_factors_studies Idioma: En Revista: J Cheminform Ano de publicação: 2016 Tipo de documento: Article País de afiliação: Colômbia País de publicação: Reino Unido

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