Exploring sets of molecules from patents and relationships to other active compounds in chemical space networks.
Ryo KunimotoJürgen BajorathPublished in: J. Comput. Aided Mol. Des. (2017)
Keyphrases
- chemical compounds
- drug discovery
- biological networks
- molecular structure
- search space
- virtual screening
- chemical reactions
- information retrieval
- space time
- network analysis
- higher dimensional
- structural features
- molecular interactions
- prior art
- intellectual property
- network model
- network structure
- experimental data
- united states
- relevance feedback
- social networks