A hybrid approach for addressing ring flexibility in 3D database searching

Journal of Computer-Aided Molecular Design

Volumn 11, Issue 1, 1997, Pages 53-60

  Sadowski, Jens ^a,b  

^a BAYER AG   (Germany)

^b BASF SE   (Germany)

Author keywords

CORINA; Directed tweak; Flexible 3D searching; NCI database; Ring flexibility; UNITY

Indexed keywords

CONFORMATIONS; QUERY LANGUAGES; QUERY PROCESSING; SEARCH ENGINES;

3D DATABASE; CORINA; DATABASE SEARCHING; DIRECTED TWEAK; FLEXIBLE 3D SEARCHING; HYBRID APPROACH; MULTIPLE CONFORMATIONS; NCI DATABASE; RING FLEXIBILITY; UNITY;

MOLECULES;

ANTIARRHYTHMIC AGENT; DOPAMINE RECEPTOR STIMULATING AGENT; HISTAMINE AGONIST; PROTEIN KINASE C;

ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; COMPARATIVE STUDY; COMPUTER PROGRAM; CONFORMATION; DRUG DESIGN; FACTUAL DATABASE; METABOLISM;

ANTI-ARRHYTHMIA AGENTS; DATABASES, FACTUAL; DOPAMINE AGONISTS; DRUG DESIGN; HISTAMINE AGONISTS; MOLECULAR CONFORMATION; MOLECULAR STRUCTURE; PROTEIN KINASE C; SOFTWARE;

EID: 0030636933     PISSN: 0920654X     EISSN: None     Source Type: Journal    
DOI: 10.1023/A:1008023427310     Document Type: Article

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