Event: September 4, 2019

Host: Oliver Fiehn, Ph.D. & Jeannette Martins (UC Davis West Coast Metabolomics Center)

About: The MANA Summer Symposium 2019, “Quantum Chemistry and Computational Methods for Compound Identification,” was the first MANA symposium and the only one held in person before the transition to fully virtual events in subsequent years. This inaugural event brought together leading experts to explore emerging computational approaches for improving metabolite identification. Through a series of expert presentations, the program highlighted advances in quantum chemistry, machine learning, and data-driven methods for interpreting mass spectrometry data. Topics included spectral library development, ion mobility prediction, neural networks for mass spectra, and cheminformatics tools for compound annotation. Featuring speakers from academia, national laboratories, and industry, the event emphasized the growing role of computational innovation in enhancing confidence and accuracy in metabolomics analyses.

Speakers:

• Keynote Speaker: Stefan Grimme (University of Bonn)

• Fei Djoumbou (Corteva Agriscience)

• Stephen Stein (National Institute of Standards and Technology)

• Ryan Renslow (Pacific Northwest National Laboratory)

• Wei Wei (Google)

• Susan Sumner (University of Missouri)

• Xiang Zhang Du (University of North Carolina)

• Pieter Dorrestein (University of California, San Diego)

• Zhi-Jian Zhu (Chinese Academy of Sciences, Shanghai)

• David Grant (University of Connecticut)

• Ivana Blaženović (DiscernDx)