A 9-qubit parameterized quantum circuit predicts protein-ligand binding free energies with 2.37 kcal/mol RMSD and 0.65 Pearson r on the PDBbind Core set, while tolerating shot noise and light gate noise.
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Quantum Machine Learning for Predicting Binding Free Energies in Structure-Based Virtual Screening
A 9-qubit parameterized quantum circuit predicts protein-ligand binding free energies with 2.37 kcal/mol RMSD and 0.65 Pearson r on the PDBbind Core set, while tolerating shot noise and light gate noise.