EP-Pred: A Machine Learning Tool for Bioprospecting Promiscuous Ester Hydrolases.

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

SUBMITTER: Xiang R 

PROVIDER: S-EPMC9599548 | biostudies-literature | 2022 Oct

REPOSITORIES: biostudies-literature