SwiFT: An Index Structure for Reduced Graph Descriptors in Virtual Screening and Clustering.

J. Robert Fischer Matthias Rarey

Published in: J. Chem. Inf. Model. (2007)

Keyphrases

virtual screening
clustering algorithm
graph partitioning
chemical structures
k means
drug discovery
spatial databases
random walk
index structure
similarity search
data structure
image retrieval
complex networks
bipartite graph
graph databases