Building explainable graph neural network by sparse learning for the drug-protein binding prediction.
Yang WangZanyu ShiTimothy RichardsonKun HuangPathum WeerawarnaYijie WangPublished in: CoRR (2023)
Keyphrases
- neural network
- drug design
- sparse learning
- prediction model
- protein interaction
- mhc class ii
- contact map
- protein protein interactions
- drug discovery
- multi task
- elastic net
- hiv protease
- amino acids
- protein structure
- weighted graph
- graph structure
- protein sequences
- directed graph
- directed acyclic graph
- sparse representation
- feature selection
- network model
- regression model
- natural images
- bayesian networks