Search Results for author: Richard D. Smith

Found 2 papers, 1 papers with code

Decoding the Molecular Universe -- Workshop Report

no code implementations19 Nov 2023 Thomas O. Metz, Joshua N. Adkins, Peter B. Armentrout, Patrick Chain, Fanny Chu, Courtney D Corley, John R. Cort, Elizabeth Denis, Daniel Drell, Katherine R. Duncan, Robert G. Ewing, Facundo M. Fernandez, Oliver Fiehn, Neha Garg, Stefan Grimme, Christopher Henry, Robert L. Hettich, Tobias Kind, Roger G. Linington, Gary W. Miller, Trent Northen, Kirsten Overdahl, Ari Patrinos, Daniel Raftery, Paul Rigor, Richard D. Smith, Jon Sobus, Justin Teeguarden, Akos Vertes, Katrina Waters, Bobbie-Jo Webb-Robertson, Antony Williams, David Wishart

Workshop attendees 1) explored what new understanding of biological and environmental systems could be revealed through the lens of small molecules; 2) characterized the similarities in current needs and technical challenges between each science or mission area for unambiguous and comprehensive determination of the composition and quantities of small molecules of any sample; 3) determined the extent to which technologies or methods currently exist for unambiguously and comprehensively determining the small molecule composition of any sample and in a reasonable time; and 4) identified the attributes of the ideal technology or approach for universal small molecule measurement and identification.

Cloud Computing

DEIMoS: an open-source tool for processing high-dimensional mass spectrometry data

1 code implementation7 Dec 2021 Sean M. Colby, Christine H. Chang, Jessica L. Bade, Jamie R. Nunez, Madison R. Blumer, Daniel J. Orton, Kent J. Bloodsworth, Ernesto S. Nakayasu, Richard D. Smith, Yehia M. Ibrahim, Ryan S. Renslow, Thomas O. Metz

We present DEIMoS: Data Extraction for Integrated Multidimensional Spectrometry, a Python application programming interface (API) and command-line tool for high-dimensional mass spectrometry data analysis workflows that offers ease of development and access to efficient algorithmic implementations.

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