An improved QSPR method based on support vector machine applying rational sample data selection and genetic algorithm-controlled training parameters optimization

Chemometrics and Intelligent Laboratory Systems

Volumn 134, Issue , 2014, Pages 34-46

  Zhang, Yaxiong ^a  

^a SHANXI NORMAL UNIVERSITY   (China)

Author keywords

Acyclic alkanes; Genetic algorithm; QSPR; Sphere exclusion algorithm; Standard formation gibbs free energy; Support vector machine

Indexed keywords

ALKANE;

ANALYTICAL PARAMETERS; ARTICLE; CHEMICAL STRUCTURE; DATA ANALYSIS; DATA PROCESSING; ENERGY YIELD; GENETIC ALGORITHM; MATHEMATICAL COMPUTING; MATHEMATICAL MODEL; PREDICTIVE VALIDITY; PREDICTOR VARIABLE; PRIORITY JOURNAL; PROCESS DEVELOPMENT; PROCESS OPTIMIZATION; QUADRATIC PROGRAMMING THEORY; QUANTITATIVE STRUCTURE PROPERTY RELATION; RADIAL BASIS KERNEL FUNCTION; SAMPLING; STRUCTURE ANALYSIS; SUPPORT VECTOR MACHINE;

EID: 84897076927     PISSN: 01697439     EISSN: 18733239     Source Type: Journal    
DOI: 10.1016/j.chemolab.2014.03.004     Document Type: Article

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