Large-scale experimental validation of phenotype-guided generative AI for de novo drug discovery
Jure Fabjan, Joanna M. Wenda, Claire Pecoraro-Mercier, Paula Andrea Marin Zapata, Joerg Wichard, Djork-Arné Clevert, Oscar Méndez‐Lucio, David Rouquié
The paper validates a generative AI model using experimental assays to design small molecule drugs targeting specific cancer-related phenotypes, showing 88% morphological impact and 37% transcriptomic pathway effects.
bioRxiv · Sep 13, 2025 · PreprintPharmacology & Toxicology