1 code implementation • 26 Jan 2023 • Michael Murphy, Stefanie Jegelka, Ernest Fraenkel, Tobias Kind, David Healey, Thomas Butler
Identifying a small molecule from its mass spectrum is the primary open problem in computational metabolomics.
no code implementations • 6 Jul 2022 • Gennady Voronov, Rose Lightheart, Joe Davison, Christoph A. Krettler, David Healey, Thomas Butler
Small molecules in biological samples are studied to provide information about disease states, environmental toxins, natural product drug discovery, and many other applications.
no code implementations • 1 Apr 2022 • Zhong Fan, Jun Cao, Taskin Jamal, Chris Fogwill, Cephas Samende, Zoe Robinson, Fiona Polack, Mark Ormerod, Sharon George, Adam Peacock, David Healey
We demonstrate the potential role of one of the largest at scale multi-vector Smart Energy Network Demonstrator (SEND).