4D-fingerprints, universal QSAR and QSPR descriptors

Journal of Chemical Information and Computer Sciences

Volumn 44, Issue 5, 2004, Pages 1526-1539

  Senese, Craig L ^a   Duca, J ^b   Pan, D ^a   Hopfinger, A J ^a   Tseng, Y J ^a  

^a UNIVERSITY OF ILLINOIS AT CHICAGO   (United States)

^b MERCK RESEARCH LABORATORIES   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CHEMOINFORMATICS; MOLECULAR FINGERPRINTS; VIRTUAL HIGH-THROUGHOUT SCREENING (VHTS);

COMPUTER SIMULATION; CONFORMATIONS; CONSTRAINT THEORY; STRUCTURE (COMPOSITION);

MOLECULAR DYNAMICS;

4 AMINOBUTYRIC ACID A RECEPTOR; ANESTHETIC AGENT; ENZYME INHIBITOR; FLAVONOID; GLYCOGEN PHOSPHORYLASE; LIGAND; PROPOFOL; PROTEINASE INHIBITOR;

ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; DRUG ANTAGONISM; METABOLISM; QUANTITATIVE STRUCTURE ACTIVITY RELATION;

ANESTHETICS, GENERAL; ENZYME INHIBITORS; FLAVONOIDS; GLYCOGEN PHOSPHORYLASE; HIV PROTEASE INHIBITORS; LIGANDS; MODELS, MOLECULAR; PROPOFOL; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP; RECEPTORS, GABA-A;

EID: 5544240592     PISSN: 00952338     EISSN: None     Source Type: Journal    
DOI: 10.1021/ci049898s     Document Type: Article

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