Graph former-CL: A novel graph transformer with contrastive learning framework for enhanced drug-drug interaction prediction
Fig 9
Clinical application case studies for COVID-19 and elderly polypharmacy scenarios.
The top panel shows the COVID-19 drug interaction network with risk assessment levels: high risk (>0.8, red), medium risk (0.5-0.8, orange), and low risk (<0.5, green). Key interactions include Remdesivir-Lopinavir (0.89 high risk) and Dexamethasone-Warfarin (0.92 high risk). The bottom panel demonstrates novel drug candidate DDI predictions, showing the model processing new drug structures through Graph Former-CL to output risk scores and mechanisms, achieving 95% ± 2% model confidence for novel drug predictions including Aducanumab (0.78) and Sotorasib (0.91).