Evaluation of a novel infrared range vibration-based descriptor (EVA) for QSAR studies. 1. General application

Journal of Computer-Aided Molecular Design

Volumn 11, Issue 4, 1997, Pages 409-422

  Turner, David B ^a   Willett, Peter ^a   Ferguson, Allan M ^b   Heritage, Trevor ^b  

^a UNIVERSITY OF SHEFFIELD   (United Kingdom)

^b Sittingbourne Research Centre   (United Kingdom)

Author keywords

AM1; CoMFA; IR vibration; PM3; Quantitative structure activity relationships

Indexed keywords

AMBER; MOLECULAR GRAPHICS;

AM1; COMFA; DESCRIPTORS; GENERAL APPLICATIONS; INFRARED RANGE; IR VIBRATION; MOLECULAR DESCRIPTORS; PM3; QSAR STUDIES; QUANTITATIVE STRUCTURE ACTIVITY RELATIONSHIP;

COMPUTATIONAL CHEMISTRY;

PROTEIN;

ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; COMPARATIVE STUDY; COMPUTER PROGRAM; COMPUTER SIMULATION; DATA BASE; DRUG DESIGN; INFRARED SPECTROPHOTOMETRY; REPRODUCIBILITY; VIBRATION;

COMPUTER SIMULATION; DATABASES; DRUG DESIGN; MODELS, MOLECULAR; PROTEINS; REPRODUCIBILITY OF RESULTS; SOFTWARE; SPECTROPHOTOMETRY, INFRARED; VIBRATION;

EID: 0031178854     PISSN: 0920654X     EISSN: None     Source Type: Journal    
DOI: 10.1023/A:1007988708826     Document Type: Review

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