A generalized machine-learning aided method for targeted identification of industrial enzymes from metagenome: A xylanase temperature dependence case study.

Growing industrial utilization of enzymes and the increasing availability of metagenomic data highlight the demand for effective methods of targeted identification and verification of novel enzymes from various environmental microbiota. Xylanases are a class of enzymes with numerous industrial applications and are involved in the degradation of xylose, a component of lignocellulose. The optimum temperature of enzymes is an essential factor to be considered when choosing appropriate biocatalysts for a particular purpose. Therefore, in silico prediction of this attribute is a significant cost and time-effective step in the effort to characterize novel enzymes. The objective of this study was to develop a computational method to predict the thermal dependence of xylanases. This tool was then implemented for targeted screening of putative xylanases with specific thermal dependencies from metagenomic data and resulted in the identification of three novel xylanases from sheep and cow rumen microbiota. Here we present thermal activity prediction for xylanase, a new sequence-based machine learning method that has been trained using a selected combination of various protein features. This random forest classifier discriminates non-thermophilic, thermophilic, and hyper-thermophilic xylanases. The model's performance was evaluated through multiple iterations of sixfold cross-validations as well as holdout tests, and it is freely accessible as a web-service at arimees.com.

BIPEP: Sequence-based Prediction of Biofilm Inhibitory Peptides Using a Combination of NMR and Physicochemical Descriptors.

Biofilms are biological systems that are formed by a community of microorganisms in which microbial cells are connected on a surface within a self-produced matrix of an extracellular polymeric substance. On some occasions, microorganisms use biofilms to protect themselves against the harmful effects of the host body immune system and the surrounding environment, hence increasing their chances of survival against the various anti-microbial agents. Biofilms play a crucial role in medicine and industry because of the problems they cause. Designing agents that inhibit bacterial biofilm formation is very costly and takes too much time in the laboratory to be discovered and validated. Therefore, developing computational tools for the prediction of biofilm inhibitor peptides is inevitable and important. Here, we present a computational prediction tool to screen the vast number of peptide sequences and select potential candidate peptides for further lab experiments and validation. In this learning model, different feature vectors, extracted from the peptide primary structure, are exploited to learn patterns from the sequence of biofilm inhibitory peptides. Various classification algorithms including SVM, random forest, and k-nearest neighbor have been examined to evaluate their performance. Overall, our approach showed better prediction in comparison with other prediction methods. In this study, for the first time, we applied features extracted from NMR spectra of amino acids along with physicochemical features. Although each group of features showed good discrimination potential alone, we used a combination of features to enhance the performance of our method. Our prediction tool is freely available.