A new strategy of outlier detection for QSAR/QSPR

Journal of Computational Chemistry

Volumn 31, Issue 3, 2010, Pages 592-602

  Cao, Dong Sheng ^a   Liang, Yi Zeng ^a   Xu, Qing Song ^a   Li, Hong Dong ^a   Chen, Xian ^a  

^a CENTRAL SOUTH UNIVERSITY   (China)

Author keywords

Monte Carlo cross validation; Outliers; QSAR QSPR; Regression diagnostics; Robust regression

Indexed keywords

CROSS VALIDATION; MONTE CARLO; QSAR/QSPR; REGRESSION DIAGNOSTICS; ROBUST REGRESSIONS;

COVARIANCE MATRIX; SEMICONDUCTOR COUNTERS;

REGRESSION ANALYSIS;

ARTICLE; CALIBRATION; COMPUTER SIMULATION; MONTE CARLO METHOD; PREDICTION AND FORECASTING; QUANTITATIVE STRUCTURE ACTIVITY RELATION; REGRESSION ANALYSIS; STATISTICAL MODEL;

CALIBRATION; COMPUTER SIMULATION; MODELS, STATISTICAL; MONTE CARLO METHOD; PREDICTIVE VALUE OF TESTS; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP; REGRESSION ANALYSIS;

EID: 75649126027     PISSN: 01928651     EISSN: 1096987X     Source Type: Journal    
DOI: 10.1002/jcc.21351     Document Type: Article

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