QSAR studies of the pyrethroid insecticides: Part 3. A putative pharmacophore derived using methodology based on molecular dynamics and hierarchical cluster analysis

Journal of Molecular Graphics and Modelling

Volumn 21, Issue 1, 2002, Pages 29-36

  Ford, Martyn G ^a   Hoare, Neil E ^a   Hudson, Brian D ^a   Nevell, Thomas G ^a   Banting, Lee ^a  

^a UNIVERSITY OF PORTSMOUTH   (United Kingdom)

Author keywords

Cluster analysis; Conformational analysis; Molecular dynamics (MD); Pyrethroid insecticides; QSAR

Indexed keywords

HIERARCHICAL CLUSTER ANALYSIS (HCA); PHARMACOPHORES;

CONFORMATIONS; INSECTICIDES; MOLECULAR DYNAMICS; STEREOCHEMISTRY; TORSIONAL STRESS;

MOLECULAR GRAPHICS;

INSECTICIDE; PYRETHROID;

ARTICLE; CHEMICAL STRUCTURE; CLUSTER ANALYSIS; CONFORMATION; ENERGY; METHODOLOGY; MOLECULAR DYNAMICS; PHARMACOPHORE; PRIORITY JOURNAL; QUANTITATIVE STRUCTURE ACTIVITY RELATION; SAMPLING;

ALLETHRIN; CLUSTER ANALYSIS; COMPUTER SIMULATION; INSECTICIDES; MODELS, MOLECULAR; MOLECULAR CONFORMATION; MOLECULAR STRUCTURE; NITRILES; PYRETHRINS; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP;

EID: 0036277665     PISSN: 10933263     EISSN: None     Source Type: Journal    
DOI: 10.1016/S1093-3263(02)00106-7     Document Type: Article

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