Performance of multicomponent self-organizing regression (MCSOR) in QSAR, QSPR, and multivariate calibration: Comparison with partial least-squares (PLS) and validation with large external data sets

SAR and QSAR in Environmental Research

Volumn 17, Issue 6, 2006, Pages 549-561

  Tuppurainen, K ^a   Korhonen, S P ^a   Ruuskanen, J ^a  

^a UNIVERSITY OF EASTERN FINLAND   (Finland)

Author keywords

MCSOR; Multivariate calibration; PLS; QSAR; QSPR

Indexed keywords

CALIBRATION; COMPUTATIONAL CHEMISTRY; LEAST SQUARES APPROXIMATIONS; STATISTICAL MECHANICS;

DATA SET; MULTICOMPONENT SELF-ORGANIZING REGRESSION; MULTICOMPONENTS; MULTIVARIATE CALIBRATION; PARTIAL LEAST-SQUARES; PERFORMANCE; QSAR; QSAR/QSPR; QSPR; SELF-ORGANISING;

MULTIPLE LINEAR REGRESSION;

EID: 33845431781     PISSN: 1062936X     EISSN: 1029046X     Source Type: Journal    
DOI: 10.1080/10629360601033390     Document Type: Article

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