Beyond benchmark accuracy: machine-learning turnover-number predictors require system-level validation
María José Rimón Martínez, Johann Lottermoser, Alexandre Theodore Charles Bouillon, Wim Vranken, Leopold Zehetner, Jürgen Zanghellini
The paper evaluates machine learning predictors of enzyme turnover numbers (kcat) by testing their impact on downstream metabolic models, finding that accuracy varies significantly and that validation must consider system-level effects.
bioRxiv · Sep 3, 2026 · PreprintBioinformatics