Ligand-Info, Searching for Similar Small Compounds Using Index Profiles.

Marcin von Grotthuss Jakub Pas Leszek Rychlewski

Published in: Bioinform. (2003)

Keyphrases

small number
drug discovery
molecular structure
closely related
experimental data
indexing method
carefully chosen
high dimensional indexing
data sets
information systems
clustering algorithm
early stage
search strategies
structural similarity
chemical compounds