QSPR modelling of dielectric constants of π-conjugated organic compounds by means of the CORAL software

SAR and QSAR in Environmental Research

Volumn 25, Issue 6, 2014, Pages 507-526

  Achary, P G R ^a  

^a SIKSHA O ANUSANDHAN DEEMED TO BE UNIVERSITY   (India)

Author keywords

CORAL; dielectric constants; optimal descriptors; QSPR models; SMILES

Indexed keywords

ORGANIC POLYMERS; QUANTUM CHEMISTRY; STRUCTURAL OPTIMIZATION;

ATOMIC ORBITAL; CORRELATION AND LOGIC; DESCRIPTORS; ENTRY SYSTEM; MONTE CARLO OPTIMIZATION; OPTIMAL DESCRIPTOR; QUANTITATIVE STRUCTURE-PROPERTY RELATIONSHIP MODELS; SIMPLIFIED MOLECULAR INPUT LINE ENTRY SYSTEM; STATISTICAL CHARACTERISTICS; TRAINING SETS;

MONTE CARLO METHODS;

ORGANIC COMPOUND;

CHEMICAL STRUCTURE; CHEMISTRY; COMPUTER PROGRAM; COMPUTER SIMULATION; MONTE CARLO METHOD; QUANTITATIVE STRUCTURE ACTIVITY RELATION;

COMPUTER SIMULATION; MODELS, MOLECULAR; MOLECULAR STRUCTURE; MONTE CARLO METHOD; ORGANIC CHEMICALS; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP; SOFTWARE;

EID: 84902655498     PISSN: 1062936X     EISSN: 1029046X     Source Type: Journal    
DOI: 10.1080/1062936X.2014.899267     Document Type: Article

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