AINeutralarXiv – CS AI · 10h ago4/10
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QBioFusion-QSAR: Morgan-Anchored Quantum Multiple Kernel Learning for Small-Data Ligand Classification
QBioFusion-QSAR introduces a quantum multiple kernel learning framework combining quantum fidelity kernels with traditional Morgan fingerprints for drug discovery classification tasks. On a 54-molecule benchmark, the hybrid approach modestly improved accuracy and correlation metrics, though statistical validation across multiple random partitions showed gains were not consistently significant beyond classical methods.