Quantitative structure property relationship models for the prediction of liquid heat capacity

QSAR and Combinatorial Science

Volumn 22, Issue 1, 2003, Pages 29-48

  Yao, Xiaojun ^a,b   Fan, Botao ^a   Doucet, J P ^a   Panaye, A ^a   Liu, Mancang ^b   Zhang, Ruisheng ^b   Zhang, Xiaoyun ^b   Hu, Zhide ^b  

^a UNIVERSITÉ PARIS DIDEROT   (France)

^b LANZHOU UNIVERSITY   (China)

Author keywords

Heat capacity; Molecular descriptor; QSPR; Radial basis function networks

Indexed keywords

FORECASTING; MEAN SQUARE ERROR; QUANTUM CHEMISTRY; RADIAL BASIS FUNCTION NETWORKS; REGRESSION ANALYSIS;

FORWARD STEPWISE REGRESSIONS; LIQUID HEAT CAPACITY; MODEL-BASED OPC; MOLECULAR DESCRIPTORS; QUANTITATIVE STRUCTURE PROPERTY RELATIONSHIPS; QUANTITATIVE STRUCTURE-PROPERTY RELATIONSHIP MODELS; QUANTUM CHEMICAL PARAMETERS; RADIAL BASIS FUNCTION NEURAL NETWORKS (RBF); ROOT MEAN SQUARE ERRORS; TOPOLOGICAL INDEX;

SPECIFIC HEAT;

ACETALDEHYDE; BROMOFORM; BROMOTRICHLOROMETHANE; CARBON TETRACHLORIDE; CHLORODIFLUOROMETHANE; CHLOROFORM; DIBROMOMETHANE; DICHLOROACETIC ACID; DICHLOROFLUOROMETHANE; DICHLOROMETHANE; ETHANE; ETHYLENE DERIVATIVE; FLUOROFORM; FLUOROMETHANE; FORMIC ACID; METHANETHIOL; METHANOL; METHYL BROMIDE; METHYL CHLORIDE; METHYL IODIDE; METHYLAMINE; NITROMETHANE; ORGANIC COMPOUND; PENTACHLOROETHANE; PHOSGENE; TETRACHLOROETHYLENE; TETRAFLUOROETHYLENE; TRICHLOROFLUOROMETHANE; UNINDEXED DRUG; VINYL CHLORIDE;

ARTIFICIAL NEURAL NETWORK; CHEMICAL ANALYSIS; CHEMICAL STRUCTURE; CONFERENCE PAPER; HEAT; HEAT CAPACITY; LIQUID; MODEL; PRIORITY JOURNAL; QUANTITATIVE STRUCTURE ACTIVITY RELATION; QUANTUM CHEMISTRY; REGRESSION ANALYSIS;

EID: 0038515075     PISSN: 1611020X     EISSN: None     Source Type: Journal    
DOI: 10.1002/qsar.200390003     Document Type: Conference Paper

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