Small molecule bioactivity benchmarks are often well-predicted by counting cells
Srijit Seal, William Dee, Adit Shah, Andrew Zhang, Katherine Titterton, Ángel Alexander Cabrera, Daniil A. Boiko, Alex Beatson, Jordi Carreras Puigvert, Shantanu Singh, Ola Spjuth, Andreas Bender, Anne Elizabeth Carpenter
The paper shows that cell counting can predict compound bioactivity as well as Cell Painting or gene expression, but Cell Painting adds unique value in protein-target-specific benchmarks.
bioRxiv · Apr 27, 2025 · PreprintBioinformatics