no code implementations • 19 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.
no code implementations • 11 Aug 2019 • Akos Vertes, Albert-Baskar Arul, Peter Avar, Andrew R. Korte, Lida Parvin, Ziad J. Sahab, Deborah I. Bunin, Merrill Knapp, Denise Nishita, Andrew Poggio, Mark-Oliver Stehr, Carolyn L. Talcott, Brian M. Davis, Christine A. Morton, Christopher J. Sevinsky, Maria I. Zavodszky
Transcriptomics response of SK-N-AS cells to methamidophos (an acetylcholine esterase inhibitor) exposure was measured at 10 time points between 0. 5 and 48 h. The data was analyzed using a combination of traditional statistical methods and novel machine learning algorithms for detecting anomalous behavior and infer causal relations between time profiles.
no code implementations • 25 Jul 2019 • Mark-Oliver Stehr, Minyoung Kim, Carolyn L. Talcott, Merrill Knapp, Akos Vertes
In spite of the rapidly increasing number of applications of machine learning in various domains, a principled and systematic approach to the incorporation of domain knowledge in the engineering process is still lacking and ad hoc solutions that are difficult to validate are still the norm in practice, which is of growing concern not only in mission-critical applications.
no code implementations • 6 May 2019 • Mark-Oliver Stehr, Peter Avar, Andrew R. Korte, Lida Parvin, Ziad J. Sahab, Deborah I. Bunin, Merrill Knapp, Denise Nishita, Andrew Poggio, Carolyn L. Talcott, Brian M. Davis, Christine A. Morton, Christopher J. Sevinsky, Maria I. Zavodszky, Akos Vertes
Our algorithms make different but overall relatively few biological assumptions, so that they are applicable to other types of biological data and potentially even to other complex systems that exhibit high dimensionality but are not of biological nature.