Open access
Sep 2026
Beyond benchmark accuracy: machine-learning turnover-number predictors require system-level validation
Enzyme turnover numbers (kcat) are essential for kinetic models and enzyme-constrained genome-scale metabolic models (ecGEMs), but measured values are sparse and therefore increasingly estimated using machine learning (ML). Although these predictors are commonly evaluated by global regression metrics, their practical u...
María José Rimón Martínez, Johann Lottermoser, Alexandre Bouillon et al.
· bioRxiv · 0 citations