A novel QSPR model for prediction of lower flammability limits of organic compounds based on support vector machine

Journal of Hazardous Materials

Volumn 168, Issue 2-3, 2009, Pages 962-969

  Pan, Yong ^a   Jiang, Juncheng ^a   Wang, Rui ^a   Cao, Hongyin ^a   Cui, Yi ^a  

^a NANJING TECH UNIVERSITY   (China)

Author keywords

Genetic algorithm; Lower flammability limit; Quantitative structure property relationship; Support vector machine

Indexed keywords

AVERAGE ABSOLUTE ERROR; CHEMOMETRICS; COMPARISON RESULT; DATA SETS; DESCRIPTORS; LOWER FLAMMABILITY LIMIT; LOWER FLAMMABILITY LIMITS; MOLECULAR DESCRIPTORS; OPTIMAL SUBSETS; QSPR MODEL; QUANTITATIVE STRUCTURE PROPERTY RELATIONSHIPS; QUANTITATIVE STRUCTURE-PROPERTY RELATIONSHIP; ROOT MEAN SQUARE ERRORS;

FLAMMABILITY; GENETIC ALGORITHMS; IMAGE RETRIEVAL; MODEL STRUCTURES; MOLECULAR STRUCTURE; ORGANIC COMPOUNDS; SULFUR COMPOUNDS; SUPPORT VECTOR MACHINES; VECTORS;

STRUCTURAL PROPERTIES;

ORGANIC COMPOUND;

DATA SET; ERROR ANALYSIS; FIRE BEHAVIOR; GENETIC ALGORITHM; MOLECULAR ANALYSIS; OPTIMIZATION; ORGANIC COMPOUND; PREDICTION; QUANTITATIVE ANALYSIS; VECTOR;

ARTICLE; CHEMICAL STRUCTURE; CHEMOMETRIC ANALYSIS; COMPUTER PREDICTION; CONTROLLED STUDY; FLAMMABILITY; GENETIC ALGORITHM; MACHINE LEARNING; QUANTITATIVE STRUCTURE PROPERTY RELATION; SUPPORT VECTOR MACHINE;

ALGORITHMS; MODELS, CHEMICAL; ORGANIC CHEMICALS; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP;

EID: 67649803354     PISSN: 03043894     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jhazmat.2009.02.122     Document Type: Article

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