Quantum and Classical Graph Convolutional Neural Networks for Protein Ligand Dissociation Constant Prediction
Azamat Salamatov, Jun Bai, Gowtham Atluri, Chaowen Guan
The paper introduces a hybrid quantum-classical graph neural network to predict protein-ligand dissociation constants, showing improved accuracy and parameter efficiency.
bioRxiv · Nov 20, 2025 · PreprintBioinformatics