Beware of R2: Simple, Unambiguous Assessment of the Prediction Accuracy of QSAR and QSPR Models

Journal of Chemical Information and Modeling

Volumn 55, Issue 7, 2015, Pages 1316-1322

  Alexander, D L J ^a   Tropsha, A ^b   Winkler, David A ^a,c,d,e  

^a CSIRO   (Australia)

^b University of North Carolina   (United States)

^c MONASH UNIVERSITY   (Australia)

^d LA TROBE UNIVERSITY   (Australia)

^e FLINDERS UNIVERSITY   (Australia)

Author keywords

[No Author keywords available]

Indexed keywords

DECISION SUPPORT SYSTEMS; MEAN SQUARE ERROR; REGRESSION ANALYSIS;

COEFFICIENT OF DETERMINATION; COMPUTATIONAL CHEMISTS; EQUIVALENT MEASURE; NONLINEAR REGRESSION MODELS; PRACTICAL IMPORTANCE; PREDICTION ACCURACY; REGULATORY DECISIONS; ROOT MEAN SQUARE ERRORS;

COMPUTATIONAL CHEMISTRY;

PROCEDURES; QUANTITATIVE STRUCTURE ACTIVITY RELATION; REGRESSION ANALYSIS; STATISTICS;

QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP; REGRESSION ANALYSIS; STATISTICS AS TOPIC;

EID: 84938066627     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/acs.jcim.5b00206     Document Type: Article

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