Paper Info
Title
Dissimilarity-based algorithms for selecting structurally diverse sets of compounds.
Abstract
This paper commences with a brief introduction to modern techniques for the computational analysis of molecular diversity and the design of combinatorial libraries. It then reviews dissimilarity-based algorithms for the selection of structurally diverse sets of compounds in chemical databases. Procedures are described for selecting a diverse subset of an entire database, and for selecting diverse combinatorial libraries using both reagent-based and product-based selection.
Year
DOI
Venue
1999
10.1089/106652799318382
JOURNAL OF COMPUTATIONAL BIOLOGY
Keywords
DocType
Volume
combinatorial chemistry,dissimilarity-based compound selection,library design,molecular diversity
Journal
6.0
Issue
ISSN
Citations 
3-4
1066-5277
9
PageRank 
References 
Authors
0.81
20
1
Name
Order
Citations
PageRank
peter willett1257.89