AI virtual cell models narrow gap between drug affinity and biological activity

Researchers propose Lig2Cell, based on 35 million affinity-versus-phenotype comparisons, to improve translation of drug affinity into biological activity. A separate toy virtual cell model with only 6 trainable parameters integrates 34 million co-folding predictions to predict cellular phenotypes.

2026-08-26 ~ 2026-08-26 · 2 related posts

• 6-Parameter Model Maps Molecular Co-Folding to Cell Phenotypes — dom_beaini · 2026-08-26
• Lig2Cell: AI Improves Translation from Drug Affinity to Biological Activity — dom_beaini · 2026-08-26