@article{808406, author = {Werickson Fortunato de Carvalho Rocha and David Sheen and Dan Bearden}, title = {Classification of samples from NMR-based metabolomics using principal components analysis and partial least squares with uncertainty estimation}, year = {2018}, month = {2018-07-25 00:07:00}, publisher = {Analytical and Bioanalytical Chemistry}, url = {https://tsapps.nist.gov/publication/get_pdf.cfm?pub_id=923049}, doi = {https://doi.org/10.1007/s00216-018-1240-2}, language = {en}, }