Complex diseases such as cancer and neurodegeneration involve interconnected biological pathways that limit the effectiveness of single-target therapies. Here, the authors introduce EVOSYNTH, a synthesis-aware multi-target drug discovery framework that integrates latent evolutionary optimization with retrosynthetic prioritization and demonstrates its ability to generate potent and experimentally actionable candidates through representative case studies in Alzheimer’s disease and ovarian cancer.
- Viet Thanh Duy Nguyen
- Phuc Pham
- Truong-Son Hy
