Structure-mutagenicity study of 12 trimethylimidazopyridine isomers using orbital energies and "spectrum-like representation" as descriptors

Journal of Chemical Information and Computer Sciences

Volumn 44, Issue 2, 2004, Pages 352-358

  Vracko M ^a   Szymoszek, A ^a,b   Barbieri, P ^a,c  

^a NATIONAL INSTITUTE OF CHEMISTRY   (Slovenia)

^b UNIVERSITY OF WROC AW   (Poland)

^c UNIVERSITY OF TRIESTE   (Italy)

Author keywords

[No Author keywords available]

Indexed keywords

AMINES; ELECTRON ENERGY LEVELS; ISOMERS; MOLECULAR STRUCTURE; NEURAL NETWORKS; REGRESSION ANALYSIS; THREE DIMENSIONAL;

COUNTERPROPAGATION NEURAL NETWORK; MOLECULAR ORBITAL ENERGY; MULTIPLE LINEAR REGRESSION; TRIMETHYLIMIDAZOPYRIDINE;

AROMATIC COMPOUNDS;

EID: 1842790840     PISSN: 00952338     EISSN: None     Source Type: Journal    
DOI: 10.1021/ci030420i     Document Type: Article

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