High-Throughput Measurement and Machine Learning-Based Prediction of Collision Cross Sections for Drugs and Drug Metabolites
Dylan H. Ross, Ryan P. Seguin, Allison M. Krinsky, Libin Xu
The paper creates a large-scale CCS database for drugs and metabolites and develops a machine learning model to predict CCS values for different molecular forms.
Journal of the American Society for Mass Spectrometry · May 12, 2022Peer-reviewedBioinformatics