Data Party THU

Jul 30, 2025 · Artificial Intelligence

Can Graph Neural Networks Accurately Predict Antibody‑Antigen Binding Affinity?

A recent Oxford study introduces Graphinity, an equivariant graph neural network that directly uses antibody‑antigen structures to predict ΔΔG, achieving up to r = 0.89 on large synthetic datasets, but reveals that data volume and diversity, rather than model architecture, remain the primary bottleneck for reliable affinity prediction.