Molecular Property Prediction Based on a Multichannel Substructure Graph.
Shuang WangZhen LiShugang ZhangMingjian JiangXiaofeng WangZhiqiang WeiPublished in: IEEE Access (2020)
Keyphrases
- protein function prediction
- molecular structures
- substructure discovery
- prediction accuracy
- three dimensional
- graph data
- graph properties
- random walk
- drug design
- linear prediction
- prediction model
- weighted graph
- prediction error
- graph mining
- directed graph
- graph structure
- frequent subgraph mining
- partial order
- multi channel
- structured data
- global consistency
- graph theoretic
- graph representation
- graph theory
- neural network
- bipartite graph
- graph clustering
- prediction algorithm
- graph model
- augmented reality
- shortest path
- image segmentation