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Mass Spectrometry Adduct Calculator.
Blumer MR, Chang CH, Brayfindley E, Nunez JR, Colby SM, Renslow RS, Metz TO. Blumer MR, et al. J Chem Inf Model. 2021 Dec 27;61(12):5721-5725. doi: 10.1021/acs.jcim.1c00579. Epub 2021 Nov 29. J Chem Inf Model. 2021. PMID: 34842435 Free PMC article.
Quantum Chemistry Calculations for Metabolomics.
Borges RM, Colby SM, Das S, Edison AS, Fiehn O, Kind T, Lee J, Merrill AT, Merz KM Jr, Metz TO, Nunez JR, Tantillo DJ, Wang LP, Wang S, Renslow RS. Borges RM, et al. Chem Rev. 2021 May 26;121(10):5633-5670. doi: 10.1021/acs.chemrev.0c00901. Epub 2021 May 12. Chem Rev. 2021. PMID: 33979149 Free PMC article. Review.
Emerging technologies and their impact on regulatory science.
Anklam E, Bahl MI, Ball R, Beger RD, Cohen J, Fitzpatrick S, Girard P, Halamoda-Kenzaoui B, Hinton D, Hirose A, Hoeveler A, Honma M, Hugas M, Ishida S, Kass GE, Kojima H, Krefting I, Liachenko S, Liu Y, Masters S, Marx U, McCarthy T, Mercer T, Patri A, Pelaez C, Pirmohamed M, Platz S, Ribeiro AJ, Rodricks JV, Rusyn I, Salek RM, Schoonjans R, Silva P, Svendsen CN, Sumner S, Sung K, Tagle D, Tong L, Tong W, Eijnden-van-Raaij JVD, Vary N, Wang T, Waterton J, Wang M, Wen H, Wishart D, Yuan Y, Slikker W Jr. Anklam E, et al. Exp Biol Med (Maywood). 2022 Jan;247(1):1-75. doi: 10.1177/15353702211052280. Epub 2021 Nov 16. Exp Biol Med (Maywood). 2022. PMID: 34783606 Free PMC article. Review.
A Practical Guide to Metabolomics Software Development.
Chang HY, Colby SM, Du X, Gomez JD, Helf MJ, Kechris K, Kirkpatrick CR, Li S, Patti GJ, Renslow RS, Subramaniam S, Verma M, Xia J, Young JD. Chang HY, et al. Anal Chem. 2021 Feb 2;93(4):1912-1923. doi: 10.1021/acs.analchem.0c03581. Epub 2021 Jan 19. Anal Chem. 2021. PMID: 33467846 Free PMC article.
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