MBROLE 2.0 - functional enrichment of chemical compounds.

Javier López-Ibáñez Florencio Pazos Monica Chagoyen

Published in: Nucleic Acids Res. (2016)

Keyphrases

chemical compounds
drug discovery
structural features
biological networks
graph kernels
subgraph isomorphism
graph databases
graph data
feature selection
data structure
high dimensional
random walk