Author

N. Morato

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#software testing Open access Oct 2026

Instrument-Agnostic Machine Learning Framework for Accurate Prediction of Functional Groups from Tandem Mass Spectrometry

Structural elucidation of unknown compounds using tandem mass spectrometry (MS/MS) is an ongoing challenge. Expert chemists will often use common product ion peaks and neutral losses or peak matching software to predict structural aspects from MS/MS spectra, a process which is time consuming and limited by the molecu...

Connor H. Beveridge, Prageeth R. Wijewardhane, Matthew Muhoberac et al. · Analytical Chemistry · 0 citations

Review Sep 2026

Drug Metabolism and Drug-Drug Interactions Studied Using High-Throughput Ambient Mass Spectrometry.

Rapid characterization of drug metabolism and drug-drug interactions (DDIs) with quantitative rigor remains challenging due to complex samples and labor-intensive workflows. We present a high-throughput (HT) ambient mass spectrometry (MS) approach using desorption electrospray ionization (DESI) that unites three comple...

Mousumi Saha, N. Talaty, N. Morato et al. · Analytical Chemistry · 0 citations