User talk:Mgibney

I think our recent work deserve a mention. These new developments attempt to solve the biggest problem in metabolomics - i.e. identifying chemical structures See references below: L. C. Menikarachchi, Cawley, S., Hill, D. W., L. Hall, M., Hall, L., Lai, S., Wilder, J., and Grant, D. F., “MolFind: A Software Package Enabling HPLC/MS-Based Identification of Unknown Chemical Structures”, Analytical Chemistry, p. 121023101647000, 2012.DOI Google Scholar BibTex RTF Tagged XML RIS L. C. Menikarachchi, Hamdalla, M. A., Hill, D. W., and Grant, D. F., “Chemical Structure Identification in Metabolomics: Computational Modeling of Experimental Features”, Computational and Structural Biotechnology Journal, vol. 5, no. 6, 2013.DOI Google Scholar BibTex RTF Tagged XML RIS L. C. Menikarachchi, Hill, D. W., Hamdalla, M. A., Mandoiu, I. I., and Grant, D. F., “In silico enzymatic synthesis of a 400,000 compound biochemical database for non-targeted metabolomics.”, Journal of Chemical Information and Modeling, p. 130830101555008, 2013.DOI Google Scholar BibTex RTF Tagged XML RIS 2012