Accessing Enzyme Kinetic Data and Prediction Methods at Scale
Alwer, S.; Escoffier, H.; Taha, K.; Boorla, V.; Yu, H.; Santra, S.; Wang, Z.; Egwu, C.; Osinuga, A.; Dey, S.; Raghunath, V. S.; Zare, F.; McGoldrick, J.; Weder, J.-N.; Kerkhoven, E.; Luo, X.; Maranas, C. D.; Zheng, L.; Wittig, U.; Chowdhury, R.; Saha, R.; Toepfer, N.; Sauter, T.; Fleming, R. M. T.
Show abstract
Enzyme kinetic parameters inform metabolic models, yet experimental measurements are sparse. A growing body of work predicts them from protein and substrate features, but software fragmentation hinders adoption, so downstream tools lock into the most accessible method. We present OpenKinetics Predictor (at predictor.openkinetics.org), an open-source platform integrating thirteen methods in isolated environments behind one interface. The platform optionally reports similarity between query proteins and each method's training data to contextualise reliability. A common featurisation-prediction abstraction keeps it extensible, and independent parties, including original authors, contributed many methods. We pair it with a data portal (at data.openkinetics.org) that exposes CatLog, a curated kinetic dataset, with precomputed embeddings, predicted binding sites, and standardised splits. Both offer a web interface and an API, and the GECKO modelling toolbox already calls the predictor API. As a case study, we predict across an E. coli model and find inter-predictor agreement varies with metabolic context and data availability.
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