Scaffold searching: Automated identification of similar ring systems for the design of combinatorial libraries

Quantitative Structure-Activity Relationships

Volumn 21, Issue 6, 2002, Pages 590-597

  Bohl, Martin ^a   Dunbar, James ^b   Gifford, Eric M ^b   Heritage, Trevor ^c   Wild, David J ^b   Willett, Peter ^d   Wilton, David J ^d  

^a Tripos GmbH   (Germany)

^b PFIZER INC   (United States)

^c TRIPOS INC   (United States)

^d UNIVERSITY OF SHEFFIELD   (United Kingdom)

Author keywords

Combinatorial libraries; Geometric searching; Ring systems; Scaffold searching; Shape similarity

Indexed keywords

ARTICLE; AUTOMATION; COMBINATORIAL LIBRARY; DATA BASE; GEOMETRY; MOLECULAR BIOLOGY; PRIORITY JOURNAL; TECHNIQUE;

EID: 0036991299     PISSN: 09318771     EISSN: None     Source Type: Journal    
DOI: 10.1002/qsar.200290001     Document Type: Article

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