Small Molecule Subgraph Detector (SMSD) toolkit.

Syed Asad Rahman Matthew Bashton Gemma L. Holliday Rainer Schrader Janet M. Thornton

Published in: J. Cheminformatics (2009)

Keyphrases

small number
small size
np hard
database
data mining
three dimensional
real time
data sets
machine learning
learning algorithm
relational databases
search space
anomaly detection
detection algorithm
graph databases