Decoding the Molecular Universe - Workshop Report
arxiv(2023)
摘要
On August 9-10, 2023, a workshop was convened at the Pacific Northwest
National Laboratory (PNNL) in Richland, WA that brought together a group of
internationally recognized experts in metabolomics, natural products discovery,
chemical ecology, chemical and biological threat assessment, cheminformatics,
computational chemistry, cloud computing, artificial intelligence, and novel
technology development. These experts were invited to assess the value and
feasibility of a grand-scale project to create new technologies that would
allow the identification and quantification of all small molecules, or to
decode the molecular universe. The Decoding the Molecular Universe project
would extend and complement the success of the Human Genome Project by
developing new capabilities and technologies to measure small molecules
(defined as non-protein, non- polymer molecules less than 1500 Daltons) of any
origin and generated in biological systems or produced abiotically. 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. The
workshop concluded with a discussion of how a project of this scale could be
undertaken, possible thrusts for the project, early proof-of-principle
applications, and similar efforts upon which the project could be modeled.
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