Ola Engkvist

The paper presents a model validation framework for molecular property prediction models in drug discovery, revealing four failure modes and showing that common evaluation protocols overestimate performance.

This study identifies AZD7648 and Pol{Theta} inhibitors as a combination (2iHDR) that enhances CRISPR-Cas9 integration efficiency and precision by targeting DNA-PK and MMEJ repair pathways.

Cell Painting images and profiles for 115,796 compounds in U2OS cells from 12 laboratories; 15.2% of analyzed compounds are phenotypically active, and cross-laboratory replicates cut reference-compound activity by 34%.