Prediction of the vapor pressure of some halogenated methyl-phenyl ether (anisole) compounds using linear and nonlinear QSPR methods

Molecular Physics

Volumn 107, Issue 15, 2009, Pages 1615-1620

  Goudarzi, Nasser ^a   Goodarzi, Mohammad ^b  

^a SHAHROOD UNIVERSITY OF TECHNOLOGY   (Iran)

^b ISLAMIC AZAD UNIVERSITY   (Iran)

Author keywords

Ab initio; Computational chemistry; Electronic structure; Quantum chemistry

Indexed keywords

AB INITIO; CHEMOMETRIC METHOD; CHEMOMETRICS; COMPUTATIONAL CHEMISTRY; CORRELATION COEFFICIENT; FEATURE SELECTION METHODS; LEAST SQUARE SUPPORT VECTOR MACHINES; LINEAR RELATIONSHIPS; MOLECULAR DESCRIPTORS; MULTIPLE LINEAR REGRESSION METHOD; MULTIPLE LINEAR REGRESSION MODELS; PHENYL ETHERS; QUANTITATIVE STRUCTURE ACTIVITY RELATIONSHIP; QUANTITATIVE STRUCTURE PROPERTY RELATIONSHIPS; RANKING TECHNIQUE; ROOT-MEAN SQUARE ERRORS; SELECTION OF VARIABLES; SVM MODEL; TEST SETS; TRAINING SETS;

ELECTRONIC PROPERTIES; ELECTRONIC STRUCTURE; ETHERS; HALOGENATION; HYDROSTATIC PRESSURE; ORGANIC COMPOUNDS; QUANTUM THEORY; STATISTICAL TESTS; SULFUR COMPOUNDS; VAPOR PRESSURE; VAPORS;

SUPPORT VECTOR MACHINES;

EID: 68849113311     PISSN: 00268976     EISSN: 13623028     Source Type: Journal    
DOI: 10.1080/00268970902994293     Document Type: Article

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