Monte Carlo QSAR models for predicting organophosphate inhibition of acetycholinesterase

SAR and QSAR in Environmental Research

Volumn 26, Issue 6, 2015, Pages 449-460

  Veselinovic J B ^a   Nikolic G M ^a   Trutic N V ^a   Zivkovic J V ^a   Veselinovic A M ^a  

^a UNIVERSITY OF NI   (Serbia)

Author keywords

acetylcholinesterase; CORAL software; Monte Carlo method; organophosphates; QSAR; SMILES

Indexed keywords

COMPUTATIONAL CHEMISTRY; COMPUTER AIDED DESIGN; MOLECULAR GRAPHICS; RATE CONSTANTS;

ACETYLCHOLINESTERASE; BIMOLECULAR RATE CONSTANTS; CORAL SOFTWARE; ENTRY SYSTEM; MONTECARLO METHODS; ORGANOPHOSPHATE; ORGANOPHOSPHATE COMPOUNDS; QUANTITATIVE STRUCTURE ACTIVITY RELATIONSHIP; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP MODELING; SIMPLIFIED MOLECULAR INPUT-LINE ENTRY SYSTEM;

MONTE CARLO METHODS;

ACETYLCHOLINESTERASE; CHOLINESTERASE INHIBITOR; ORGANOPHOSPHATE;

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

ACETYLCHOLINESTERASE; CHOLINESTERASE INHIBITORS; COMPUTER SIMULATION; MODELS, MOLECULAR; MOLECULAR STRUCTURE; MONTE CARLO METHOD; ORGANOPHOSPHATES; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP;

EID: 84939255301     PISSN: 1062936X     EISSN: 1029046X     Source Type: Journal    
DOI: 10.1080/1062936X.2015.1049665     Document Type: Article

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