A fragment-weighted key-based similarity measure for use in structural clustering and virtual screening

QSAR and Combinatorial Science

Volumn 25, Issue 3, 2006, Pages 221-234

  Joørgensen, Anne Marie Munk ^a   Langgård, Morten ^a   Gundertofte, Klaus ^a   Pedersen, Jan Torleif ^a  

^a H LUNDBECK A S   (Denmark)

Author keywords

Structural clustering; Structural keys; Virtual screening

Indexed keywords

CLUSTERING METHODS; MOLECULAR DESCRIPTORS; RING SYSTEMS; SIDE-CHAINS; SIMILARITY MEASURE; STRUCTURAL CLUSTERING; STRUCTURAL KEY; STRUCTURE FORMS; VIRTUAL SCREENING; WEIGHTED SUM;

SCAFFOLDS;

BENZODIAZEPINE; DOPAMINE RECEPTOR STIMULATING AGENT; SEROTONIN; SEROTONIN ANTAGONIST;

ARTICLE; CLUSTER ANALYSIS; DOPAMINERGIC SYSTEM; EXPERIMENTATION; FRAGMENTATION REACTION; MEASUREMENT; PRIORITY JOURNAL; SCREENING; STATISTICAL ANALYSIS; STATISTICAL PARAMETERS; STRUCTURAL BIOINFORMATICS; STRUCTURE ACTIVITY RELATION; STRUCTURE ANALYSIS; TECHNIQUE;

EID: 33645028388     PISSN: 1611020X     EISSN: 16110218     Source Type: Journal    
DOI: 10.1002/qsar.200510157     Document Type: Article

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