Visualization and virtual screening in molecular property spaces.

Alexander Klenner Michael Reutlinger Gisbert Schneider

Published in: J. Cheminformatics (2011)

Keyphrases

virtual screening
drug discovery
similarity searching
chemical structures
high throughput
binding sites
scoring function
data analysis
similarity search
chemical compounds
data sets
metric space
database systems
data structure
protein sequences
data mining tools