Deepa D. Acharya

The Everything Bagel feature finder automates metabolomics data processing, achieving comparable or better performance than existing methods with significantly reduced computational time.

MassQL, an open-source query language, lets users search raw mass spectrometry data from any vendor for isotope, fragmentation and neutral-loss patterns, from one file to entire public repositories.

The paper introduces a web-based tool for collaborative analysis of mass spectrometry data, enabling remote inspection, visualization, and analysis of private and public datasets.

The paper introduces Qemistree, a method for analyzing metabolomics mass spectrometry data using hierarchical molecular fingerprints and chemical ontologies to explore chemical composition.