QSPR models for prediction of half wave potentials of some chlorinated organic compounds using SR-PLS and GA-PLS methods

Molecular Physics

Volumn 107, Issue 17, 2009, Pages 1739-1744

  Goudarzi, Nasser ^a   Goodarzi, Mohammad ^b   Hosseini, M Mohammad ^c   Nekooei, M ^c  

^a SHAHROOD UNIVERSITY OF TECHNOLOGY   (Iran)

^b ISLAMIC AZAD UNIVERSITY   (Iran)

^c ISLAMIC AZAD UNIVERSITY   (Iran)

Author keywords

Chlorinated organic compounds; Genetic algorithm partial least squares; Half wave reduction potential; Quantitative structure property relationship; Stepwise regression partial least squares

Indexed keywords

ACCURATE PREDICTION; CHLORINATED ORGANIC COMPOUNDS; HALF-WAVE; HALF-WAVE POTENTIAL; HALF-WAVE REDUCTION POTENTIAL; MOLECULAR DESCRIPTORS; PARTIAL LEAST SQUARES; PLS MODELS; QSPR MODEL; QUANTITATIVE STRUCTURE-PROPERTY RELATIONSHIP; QUANTITATIVE STRUCTURE-PROPERTY RELATIONSHIP MODELS; REDUCTION POTENTIAL; REDUCTION SYSTEMS; REVERSIBLE OXIDATION; ROOT MEAN SQUARE ERRORS; STEPWISE REGRESSION; STEPWISE REGRESSION-PARTIAL LEAST SQUARES; VARIABLE SELECTION;

ELECTROCHEMICAL PROPERTIES; ORGANIC COMPOUNDS; REDUCTION; REGRESSION ANALYSIS; SULFUR COMPOUNDS;

GENETIC ALGORITHMS;

EID: 68949107951     PISSN: 00268976     EISSN: 13623028     Source Type: Journal    
DOI: 10.1080/00268970903042266     Document Type: Article

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