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Volumn 31, Issue 10, 2012, Pages 741-751

A kernel-based method for assessing uncertainty on individual QSAR predictions

a INSTITUT NATIONAL DE L ENVIRONNEMENT INDUSTRIEL ET DES RISQUES INERIS (France)

Author keywords

Domain of applicability; Individual predictions; Kernel regression; Quantitative structure activity relationships (QSAR); Uncertainty

Indexed keywords

COMPUTATIONAL CHEMISTRY; DECISION MAKING; LEAST SQUARES APPROXIMATIONS; REGRESSION ANALYSIS; RISK ASSESSMENT; UNCERTAINTY ANALYSIS;

DOMAIN OF APPLICABILITY; INDIVIDUAL PREDICTION; KERNEL BASED METHODS; KERNEL REGRESSION; PREDICTIVE UNCERTAINTY; QUANTITATIVE STRUCTURE ACTIVITY RELATIONSHIP; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP; SOUND DECISION; TRAINING SETS; UNCERTAINTY;

FORECASTING;

ARTICLE; DENSITY; KERNEL METHOD; PARTIAL LEAST SQUARES REGRESSION; PREDICTION; PRIORITY JOURNAL; QUANTITATIVE STRUCTURE ACTIVITY RELATION; STRUCTURAL EQUATION MODELING; UNCERTAINTY;

EID: 84867507339 PISSN: 18681743 EISSN: 18681751 Source Type: Journal
DOI: 10.1002/minf.201200053 Document Type: Article

Times cited : (5)

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