Megavariate analysis of hierarchial QSAR data

Journal of Computer-Aided Molecular Design

Volumn 16, Issue 10, 2002, Pages 711-726

  Eriksson, Lennart ^a   Johansson, Erik ^a   Lindgren, Fredrik ^b   Sjöström, Michael ^c   Wold, Svante ^c  

^a Umetrics AB   (Sweden)

^b Malmö Office   (Sweden)

^c UMEÅ UNIVERSITY   (Sweden)

Author keywords

Hierarchical modelling; Megavariate analysis; Multivariate analysis; PCA; PLS; QSAR; Statistical molecular design (SMD)

Indexed keywords

CHEMICAL ANALYSIS; COMPUTATIONAL CHEMISTRY; MOLECULAR GRAPHICS;

HIERARCHICAL MODEL; MEGAVARIATE ANALYSE; MOLECULAR DESIGN; MULTI VARIATE ANALYSIS; PCA; PCA MODEL; PLS; PLS MODELLING; QSAR; STATISTICAL MOLECULAR DESIGN;

MULTIVARIANT ANALYSIS;

1,2 DIBROMOETHANE; ALKANE DERIVATIVE; BROMINE DERIVATIVE; CHLOROFORM; DICHLOROETHANE; DICHLOROMETHANE; PROPANE; TETRACHLOROETHANE; TRICHLOROFLUOROMETHANE; ALKANE;

ANALYTIC METHOD; CHEMICAL ANALYSIS; CONSTANTS AND COEFFICIENTS; CONTROLLED STUDY; CORRELATION ANALYSIS; DATA ANALYSIS; HALOGENATION; INFORMATION PROCESSING; MEGAVARIATE ANALYSIS; NONHUMAN; PLOTS AND CURVES; PREDICTION; PRINCIPAL COMPONENT ANALYSIS; PRIORITY JOURNAL; QUANTITATIVE STRUCTURE ACTIVITY RELATION; RAT; RELIABILITY; REVIEW; SCORING SYSTEM; STATISTICAL MODEL; STATISTICAL PARAMETERS; ARTICLE; BIOLOGICAL MODEL; CHEMICAL MODEL; CHEMICAL STRUCTURE; CHEMISTRY; COMBINATORIAL CHEMISTRY; COMPUTER SIMULATION; EVALUATION; METHODOLOGY; MULTIVARIATE ANALYSIS; REGRESSION ANALYSIS; REPRODUCIBILITY; SENSITIVITY AND SPECIFICITY; STRUCTURE ACTIVITY RELATION;

ALKANES; COMBINATORIAL CHEMISTRY TECHNIQUES; COMPUTER SIMULATION; LEAST-SQUARES ANALYSIS; MODELS, BIOLOGICAL; MODELS, CHEMICAL; MODELS, MOLECULAR; MODELS, STATISTICAL; MULTIVARIATE ANALYSIS; PRINCIPAL COMPONENT ANALYSIS; REPRODUCIBILITY OF RESULTS; SENSITIVITY AND SPECIFICITY; STRUCTURE-ACTIVITY RELATIONSHIP;

EID: 0036820793     PISSN: 0920654X     EISSN: None     Source Type: Journal    
DOI: 10.1023/A:1022450725545     Document Type: Review

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