Computer-assisted prediction of pesticide substructure using mass spectra

Analytica Chimica Acta

Volumn 593, Issue 2, 2007, Pages 199-206

  Xiong, Qing ^a   Zhang, Yuxi ^a   Li, Menglong ^a  

^a SICHUAN UNIVERSITY   (China)

Author keywords

AdaBoost algorithm combined with Classification and Regression Tree; Classification; Feature selection; Genetic Algorithm Partial Least Squares; Mass spectra

Indexed keywords

CLASSIFICATION (OF INFORMATION); FEATURE EXTRACTION; GENETIC ALGORITHMS; LEAST SQUARES APPROXIMATIONS; MASS SPECTROMETRY; MOLECULAR STRUCTURE; REGRESSION ANALYSIS; SCREENING;

ADABOOST ALGORITHM; PARTIAL LEAST SQUARES; PESTICIDE RESIDUES ANALYSIS; REGRESSION TREE;

PESTICIDES;

1,3,4 THIADIAZOLE DERIVATIVE; AMITROLE; CARBAMIC ACID; IMIDAZOLE; PESTICIDE RESIDUE; PHOSPHATE; PHOSPHORAMIDIC ACID; PHOSPHOROTHIOIC ACID DERIVATIVE; PYRETHROID; PYRIMIDINE; THIAZOLE;

ARTICLE; CHEMICAL STRUCTURE; GENETIC ALGORITHM; MASS SPECTROMETRY; MATHEMATICAL MODEL; PARTIAL LEAST SQUARES REGRESSION; PRIORITY JOURNAL; RESIDUE ANALYSIS; SUPPORT VECTOR MACHINE;

EID: 34249335375     PISSN: 00032670     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.aca.2007.04.060     Document Type: Article

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