Consensus QSAR modeling of phosphor-containing chiral AChE inhibitors

QSAR and Combinatorial Science

Volumn 28, Issue 6-7, 2009, Pages 664-677

  Kuz'min, Victor E ^a,b   Muratov, Eugene N ^a,b   Artemenko, Anatoly G ^a,b   Varlamova, Ekaterina V ^b   Gorb, Leonid ^a   Wang, Jing ^a   Leszczynski, Jerzy ^a  

^a JACKSON STATE UNIVERSITY   (United States)

^b INSTITUTE OF HYDROBIOLOGY   (Ukraine)

Author keywords

AChE inhibition; Chiral organophosphates; Enantiomers; HiT QSAR; SiRMS

Indexed keywords

COMPUTATIONAL CHEMISTRY; LEAST SQUARES APPROXIMATIONS; MOLECULAR GRAPHICS;

ACETYLCHOLINESTERASE INHIBITION; ACETYLCHOLINESTERASE INHIBITORS; CHIRAL ORGANOPHOSPHATE; HIT QSAR; LATTICE MODELS; MOLECULAR STRUCTURE MODELS; ORGANOPHOSPHATE COMPOUNDS; QSAR MODELING; SIMPLEX REPRESENTATION; SIMPLEX REPRESENTATION OF MOLECULAR STRUCTURE;

ISOMERS;

CHOLINESTERASE INHIBITOR; ORGANOPHOSPHATE; PHOSPHORUS;

ARTICLE; CHIRALITY; DRUG STRUCTURE; ENANTIOMER; ENZYME INHIBITION; ISOMER; MOLECULAR DYNAMICS; PARTIAL LEAST SQUARES REGRESSION; PREDICTION; PRIORITY JOURNAL; QUANTITATIVE STRUCTURE ACTIVITY RELATION; QUANTUM CHEMISTRY; RACEMIC MIXTURE; STATISTICAL MODEL; STEREOCHEMISTRY;

EID: 67949106549     PISSN: 1611020X     EISSN: 16110218     Source Type: Journal    
DOI: 10.1002/qsar.200860117     Document Type: Article

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