Classifying Chemical Compounds Using Contrast and Common Patterns.

Andrzej Dominik Zbigniew Walczak Jacek Wojciechowski

Published in: ICANNGA (1) (2007)

Keyphrases

chemical compounds
drug discovery
structural features
graph data
graph databases
biological networks
graph patterns
graph kernels
subgraph isomorphism
data mining
feature selection
data structure
frequent patterns
graph model
gaussian processes