Neural network based on quantum chemistry for predicting melting point of organic compounds

Chinese Journal of Chemical Physics

Volumn 22, Issue 1, 2009, Pages 19-26

  Lazzús, Juan A ^a  

^a DEPARTAMENTO DE BIOLOGÍA   (Chile)

Author keywords

Artificial neural network; Melting point; Quantitative structure property relationship; Quantum chemistry

Indexed keywords

BACKPROPAGATION; CHEMICAL BONDS; MELTING POINT; MOLECULAR ORBITALS; ORGANIC COMPOUNDS; QUANTUM CHEMISTRY;

AVERAGE ABSOLUTE DEVIATION; BACK PROPAGATION NEURAL NETWORKS; COMBINED METHOD; INPUT VARIABLES; INTER-MOLECULAR FORCES; MOLECULAR SYMMETRY; QUANTITATIVE STRUCTURE - PROPERTY RELATIONSHIPS; SEMI-EMPIRICAL MOLECULAR ORBITAL THEORY;

NEURAL NETWORKS;

EID: 67649861389     PISSN: 16740068     EISSN: None     Source Type: Journal    
DOI: 10.1088/1674-0068/22/01/19-26     Document Type: Article

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