Molecular activity prediction using graph convolutional deep neural network considering distance on a molecular graph.
Masahito OhueRyota IiKeisuke YanagisawaYutaka AkiyamaPublished in: CoRR (2019)
Keyphrases
- neural network
- graph theory
- protein function prediction
- graph structure
- graph representation
- random walk
- graph theoretic
- fuzzy logic
- graph databases
- weighted graph
- graph mining
- image segmentation
- graph construction
- spanning tree
- graph model
- bipartite graph
- prediction model
- graph matching
- structured data
- artificial neural networks
- prediction error
- network architecture
- edge weights
- pattern recognition
- protein structure prediction
- distance matrix
- drug design
- three dimensional