ArticleBiomolecules2022
EP-Pred: A Machine Learning Tool for Bioprospecting Promiscuous Ester Hydrolases.
Article in Biomolecules, 2022. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 5 papers.
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Who cites it
5 citing papers in PubMed.
- A Novel Unsupervised Learning Model with Bayesian Hyperparameter Optimization for Predicting Substrates of Promiscuous Enzymes.ACS omega · 2026Article
- Screening of Marine Bacteria for Lipase Activity and Application as Whole-Cell Biocatalysts.Microorganisms · 2026Article
- Nature-Inspired Enzymatic Cascades: Emerging Strategies for Sustainable Chemistry.Molecules (Basel, Switzerland) · 2026Review
- aMLProt: an automated machine learning library for protein applications.Bioinformatics (Oxford, England) · 2025Article
- Advances in Computational Intelligence-Based Methods of Structure and Function Prediction of Proteins.Biomolecules · 2024Article
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5 authors.
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Abstract
When bioprospecting for novel industrial enzymes, substrate promiscuity is a desirable property that increases the reusability of the enzyme. Among industrial enzymes, ester hydrolases have great relevance for which the demand has not ceased to increase. However, the search for new substrate promiscuous ester hydrolases is not trivial since the mechanism behind this property is greatly influenced by the active site's structural and physicochemical characteristics. These characteristics must be computed from the 3D structure, which is rarely available and expensive to measure, hence the need for a method that can predict promiscuity from sequence alone. Here we report such a method called EP-pred, an ensemble binary classifier, that combines three machine learning algorithms: SVM, KNN, and a Linear model. EP-pred has been evaluated against the Lipase Engineering Database together with a hidden Markov approach leading to a final set of ten sequences predicted to encode promiscuous esterases. Experimental results confirmed the validity of our method since all ten proteins were found to exhibit a broad substrate ambiguity.
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