Open access
Oct 2026
Polypharmacological target-aware molecule generation
This work reformulates multitarget drug design as a sequence-based generation task and introduces PolyTamGen, an end-to-end autoregressive framework that improves joint success rates over representative baselines while maintaining high chemical validity and diversity.
Ke-Han Wu, Wei Zhang, Han Guo et al.
· Bioinformatics · 0 citations