Chemically Interpretable Graph Interaction Network for Prediction of Pharmacokinetic Properties of Drug-Like Molecules.
Yashaswi PathakSiddhartha LaghuvarapuSarvesh MehtaU. Deva PriyakumarPublished in: AAAI (2020)
Keyphrases
- physico chemical
- clustering coefficient
- chemical compounds
- prediction accuracy
- degree distribution
- protein interaction
- network model
- graphical representation
- peer to peer
- network structure
- complex networks
- small world
- graph properties
- radial basis function network
- prediction model
- directed graph
- network properties
- graph theoretic
- graph theory
- graph data
- structural properties
- scale free
- structured data
- user interaction
- ligand docking
- social networks
- drug design
- fully connected
- structural features
- graph structure
- random walk
- medical images