Comparative study of hybrid quantum-classical models for cold-start drug–target affinity prediction: a partial pilot analysis
Cold-start drug–target affinity (DTA) prediction requires evaluation on genuinely unseen chemical and protein entities. We considered QVGAT-DPI (Quantum Variational Graph Attention Network for Drug–Protein Interaction) as a residual hybrid model combining full molecular graphs, permutation-invariant Breaking of Retro-s...
Arman Salehi, Ghazal Salehi, Ashkan Heydarian et al.
· Scientific Reports · 0 citations