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Gary Mallard (Assoc)

Publications

AIRI: Predicting Retention Indices and Their Uncertainties Using Artificial Intelligence

January 17, 2024

Author(s)

Lewis Geer, Stephen E. Stein, Gary Mallard, Douglas Slotta

The Kováts retention index (RI) is a quantity measured using gas chromatography and is commonly used in the identification of chemical structures. Creating

Inferring the nominal molecular mass of an analyte from its electron ionization mass spectrum

August 23, 2023

Author(s)

Arun Moorthy, Anthony J. Kearsley, William Mallard, William E. Wallace, Stephen E. Stein

The performance of three algorithms for predicting nominal molecular mass from an analyte's electron ionization mass spectrum is presented. The Peak

Mass spectral similarity mapping applied to fentanyl analogs

March 24, 2020

Author(s)

Arun Moorthy, Anthony J. Kearsley, William G. Mallard, William E. Wallace

View more Publications

Created August 28, 2019, Updated December 8, 2022

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