Multimodal out-of-distribution individual uncertainty quantification enhances binding affinity prediction for polypharmacology

Nature Machine Intelligence, Published online: 18 December 2025; doi:10.1038/s42256-025-01151-2

Badkul et al. develop eMOSAIC, a method that improves drug discovery by accurately predicting the interaction mechanics of various compounds with multiple proteins.

​Nature Machine Intelligence, Published online: 18 December 2025; doi:10.1038/s42256-025-01151-2Badkul et al. develop eMOSAIC, a method that improves drug discovery by accurately predicting the interaction mechanics of various compounds with multiple proteins. Read More