BioinformaticsComputational and Structural Biotechnology JournalPeer-reviewed
G-PLIP: Knowledge graph neural network for structure-free protein-ligand bioactivity prediction
Simon Crouzet, Anja Maria Lieberherr, Kenneth Atz…·Jitao David Zhang
The paper introduces a graph neural network for predicting protein-ligand interactions without structural data, achieving competitive performance using representation learning.