Graph Wavelet Alignment Kernels for Drug Virtual Screening.

Aaron M. Smalter Jun Huan Gerald H. Lushington

Published in: J. Bioinform. Comput. Biol. (2009)

Keyphrases

virtual screening
drug discovery
chemical structures
similarity searching
chemical compounds
high throughput
binding sites
scoring function
graph kernels
directed acyclic graph
weighted graph
kernel function
graph mining
similarity search
spanning tree
feature extraction
graph data
early stage