External validation and prediction employing the predictive squared correlation coefficient - Test set activity mean vs training set activity mean

Journal of Chemical Information and Modeling

Volumn 48, Issue 11, 2008, Pages 2140-2145

  Schüürmann, Gerrit ^a,b   Ebert, Ralf Uwe ^a   Chen, Jingwen ^c   Wang, Bin ^c   Kühne, Ralph ^a  

^a HELMHOLTZ CENTRE FOR ENVIRONMENTAL RESEARCH UFZ   (Germany)

^b TU BERGAKADEMIE FREIBERG   (Germany)

^c DALIAN UNIVERSITY OF TECHNOLOGY   (China)

Author keywords

[No Author keywords available]

Indexed keywords

FORECASTING; REGRESSION ANALYSIS;

CROSS VALIDATION; GUIDANCE DOCUMENT; MATHEMATICAL PROOF; PREDICTION CAPABILITY; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIPS; REGRESSION MODEL; RESIDUAL SUM OF SQUARES; SQUARED CORRELATION COEFFICIENTS;

COMPUTATIONAL CHEMISTRY;

ARTICLE; CHEMICAL MODEL; FACTUAL DATABASE; INFORMATION SCIENCE; QUANTITATIVE STRUCTURE ACTIVITY RELATION; REGRESSION ANALYSIS; VALIDATION STUDY;

DATABASES, FACTUAL; INFORMATICS; MODELS, CHEMICAL; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP; REGRESSION ANALYSIS;

EID: 57549095014     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/ci800253u     Document Type: Article

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