Adaption of the Aristotle Classifier for Accurately Identifying Highly Similar Bacteria Analyzed by MALDI-TOF MS.

MALDI-TOF MS has shown great utility for rapidly identifying microbial species. It can be used to successfully type bacteria and fungi from a variety of sources more rapidly and cost-effectively than traditional methods. One area where improvements are necessary is in the typing of highly similar samples, such as those samples from the same genus but different species or samples from within a single species but from different strains. One promising way to address this current limitation is by using advanced machine learning techniques. In this work, we adapt a newly developed machine learning tool, the Aristotle Classifier, to bacterial classification of MALDI-TOF MS data. This tool was originally developed for classifying glycomics and glycoproteomics data, so we modified it to be well-suited for assigning mass spectral data from bacterial proteins. The classifier exceeds existing benchmarks in classifying bacteria, and it shows particularly strong performance when the samples to be identified are highly similar. The combination of mass spectrometry data and tools like the Aristotle Classifier could ameliorate the ambiguities associated with challenging bacterial classification problems.