Preprint
Aug 2026
Conditional Neural Optimal Transport for Predicting Cellular Phenotypes from Molecular Structure
The results establish NOT as a promising framework for predicting cellular phenotypes from molecular structure and negative-control phenotypes, while highlighting the development of more informative molecular representations as a key direction for improving out-of-distribution performance.
Gauthier Avité, Maxime Sanchez-Renauld, Nicolas Bourriez et al.
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