Critical comparative analysis, validation and interpretation of SVM and PLS regression models in a QSAR study on HIV-1 protease inhibitors

Chemometrics and Intelligent Laboratory Systems

Volumn 98, Issue 1, 2009, Pages 65-77

  Hernández, Noslen ^a   Kiralj, Rudolf ^b   Ferreira, Márcia M C ^b   Talavera, Isneri ^a  

^a ADVANCED TECHNOLOGIES APPLICATION CENTER   (Cuba)

^b UNIVERSITY OF CAMPINAS   (Brazil)

Author keywords

Molecular descriptors; Peptidic protease inhibitors; Regression models; Statistics; Validation

Indexed keywords

PROTEINASE INHIBITOR;

ARTICLE; BIOLOGICAL ACTIVITY; CHEMICAL STRUCTURE; CLUSTER ANALYSIS; COMPARATIVE STUDY; CONTROLLED STUDY; EXTERNAL VALIDITY; HUMAN IMMUNODEFICIENCY VIRUS 1; PARTIAL LEAST SQUARES REGRESSION; PRINCIPAL COMPONENT ANALYSIS; PRIORITY JOURNAL; QUANTITATIVE STRUCTURE ACTIVITY RELATION; STATISTICAL MODEL; SUPPORT VECTOR MACHINE;

EID: 67649784530     PISSN: 01697439     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.chemolab.2009.04.012     Document Type: Article

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