Interpreting Graph Neural Networks for Antibacterial Drug Repurposing against Acinetobacter baumannii
Salvatore Romano, Marco Grassia, Dario Righelli…·Cristian Taccioli
This paper uses a graph neural network to predict antibacterial activity against Acinetobacter baumannii and identifies piperazine as a key contributor to predicted activity, leading to the testing of CE3F4.