Megavariate analysis of environmental QSAR data. Part I - A basic framework founded on principal component analysis (PCA), partial least squares (PLS), and statistical molecular design (SMD)

Molecular Diversity

Volumn 10, Issue 2, 2006, Pages 169-186

  Eriksson, Lennart ^a   Andersson, Patrik L ^b   Johansson, Erik ^a   Tysklind, Mats ^b  

^a Umetrics AB   (Sweden)

^b UMEÅ UNIVERSITY   (Sweden)

Author keywords

Megavariate data analysis; PCA; PLS; QSAR; SMD

Indexed keywords

ARTICLE; CALIBRATION; CHEMISTRY; ENVIRONMENT; PRINCIPAL COMPONENT ANALYSIS; PRIORITY JOURNAL; QUANTITATIVE STRUCTURE ACTIVITY RELATION; REGRESSION ANALYSIS; VALIDATION PROCESS;

DATA INTERPRETATION, STATISTICAL; HAZARDOUS SUBSTANCES; LEAST-SQUARES ANALYSIS; MODELS, CHEMICAL; MODELS, STATISTICAL; PRINCIPAL COMPONENT ANALYSIS; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP; TOXICOLOGY;

EID: 33746256595     PISSN: 13811991     EISSN: None     Source Type: Journal    
DOI: 10.1007/s11030-006-9024-6     Document Type: Article

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