Improvement of quantitative structure-retention relationship models for chromatographic retention prediction of peptides applying individual local partial least squares models.

Andries, Jan P M; Goodarzi, Mohammad; Heyden, Yvan Vander

Andries, Jan P M; Goodarzi, Mohammad; Heyden, Yvan Vander.

Afiliação

Andries JPM; Research Group Analysis Techniques in the Life Sciences, Avans Hogeschool, University of Professional Education, P.O. Box 90116, 4800, RA Breda, the Netherlands. Electronic address: jp.andries@avans.nl.
Goodarzi M; Department of Biochemistry, University of Texas Southwestern Medical Center, Dallas, TX, 75390, United States.
Heyden YV; Department of Analytical Chemistry, Applied Chemometrics and Molecular Modelling (FABI), Vrije Universiteit Brussel (VUB), Laarbeeklaan 103, B-1090, Brussels, Belgium.

Talanta ; 219: 121266, 2020 Nov 01.

Article em En | MEDLINE | ID: mdl-32887157

Assuntos

Cromatografia de Fase Reversa; Peptídeos; Calibragem; Análise dos Mínimos Quadrados; Proteínas; Relação Quantitativa Estrutura-Atividade

Palavras-chave

Final complexity adapted models (FCAM); Local models; Molecular descriptors; Partial least squares; Peptides; Quantitative StructureRetention relationships (QSRR)

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Texto completo: 1 Base de dados: MEDLINE Assunto principal: Peptídeos / Cromatografia de Fase Reversa Tipo de estudo: Prognostic_studies / Risk_factors_studies Idioma: En Ano de publicação: 2020 Tipo de documento: Article

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