no code implementations • 4 Nov 2021 • Jamie Nunez, Eva Brayfindley, Sean M. Colby, Monee McGrady, Kristin H. Jarman, Ryan S. Renslow, Thomas O. Metz
The physical-chemical property of molecular collision cross section (CCS) is increasingly used to assist in small molecule identification; however, questions remain regarding the extent of its true utility in contributing to such identifications, especially given its correlation with mass.
no code implementations • 20 Nov 2020 • Tom Grimes, Eric Church, William Pitts, Lynn Wood, Eva Brayfindley, Luke Erikson, Mark Greaves
For this example, the effect of the robust and domain adversarial training is to remove features indicative of the difference in background between instances of operation of the device - providing highly discriminative features on which to construct the classifier.