Building explainable graph neural network by sparse learning for the drug-protein binding prediction

1 code implementation • 27 Aug 2023 • Yang Wang, Zanyu Shi, Timothy Richardson, Kun Huang, Pathum Weerawarna, Yijie Wang

Due to the use of the chemical-substructure-based graph, it is guaranteed that any subgraphs in a drug identified by our SLGNN are chemically valid structures.

Sparse Learning valid