Hill DW - Search Results

1

Combining Experimental with Computational Infrared and Mass Spectra for High-Throughput Nontargeted Chemical Structure Identification.

Karunaratne E, Hill DW, Dührkop K, Böcker S, Grant DF. Karunaratne E, et al. Among authors: hill dw. Anal Chem. 2023 Aug 15;95(32):11901-11907. doi: 10.1021/acs.analchem.3c00937. Epub 2023 Aug 4. Anal Chem. 2023. PMID: 37540774

2

Mass spectral metabonomics beyond elemental formula: chemical database querying by matching experimental with computational fragmentation spectra.

Hill DW, Kertesz TM, Fontaine D, Friedman R, Grant DF. Hill DW, et al. Anal Chem. 2008 Jul 15;80(14):5574-82. doi: 10.1021/ac800548g. Epub 2008 Jun 12. Anal Chem. 2008. PMID: 18547062

3

MolFind: a software package enabling HPLC/MS-based identification of unknown chemical structures.

Menikarachchi LC, Cawley S, Hill DW, Hall LM, Hall L, Lai S, Wilder J, Grant DF. Menikarachchi LC, et al. Among authors: hill dw. Anal Chem. 2012 Nov 6;84(21):9388-94. doi: 10.1021/ac302048x. Epub 2012 Oct 23. Anal Chem. 2012. PMID: 23039714 Free PMC article.

4

Evaluation of an Artificial Neural Network Retention Index Model for Chemical Structure Identification in Nontargeted Metabolomics.

Samaraweera MA, Hall LM, Hill DW, Grant DF. Samaraweera MA, et al. Among authors: hill dw. Anal Chem. 2018 Nov 6;90(21):12752-12760. doi: 10.1021/acs.analchem.8b03118. Epub 2018 Oct 24. Anal Chem. 2018. PMID: 30350614 Free PMC article.

5

High-Throughput Non-targeted Chemical Structure Identification Using Gas-Phase Infrared Spectra.

Karunaratne E, Hill DW, Pracht P, Gascón JA, Grimme S, Grant DF. Karunaratne E, et al. Among authors: hill dw. Anal Chem. 2021 Aug 3;93(30):10688-10696. doi: 10.1021/acs.analchem.1c02244. Epub 2021 Jul 21. Anal Chem. 2021. PMID: 34288660 Free PMC article.

6

NMR and HPLC-MS/MS analysis of synthetically prepared linoleic acid diol glucuronides.

Yang J, Morton MD, Hill DW, Grant DF. Yang J, et al. Among authors: hill dw. Chem Phys Lipids. 2006 Apr;140(1-2):75-87. doi: 10.1016/j.chemphyslip.2006.01.007. Epub 2006 Feb 9. Chem Phys Lipids. 2006. PMID: 16500631

7

BioSM: metabolomics tool for identifying endogenous mammalian biochemical structures in chemical structure space.

Hamdalla MA, Mandoiu II, Hill DW, Rajasekaran S, Grant DF. Hamdalla MA, et al. Among authors: hill dw. J Chem Inf Model. 2013 Mar 25;53(3):601-12. doi: 10.1021/ci300512q. Epub 2013 Feb 27. J Chem Inf Model. 2013. PMID: 23330685 Free PMC article.

8

In silico enzymatic synthesis of a 400,000 compound biochemical database for nontargeted metabolomics.

Menikarachchi LC, Hill DW, Hamdalla MA, Mandoiu II, Grant DF. Menikarachchi LC, et al. Among authors: hill dw. J Chem Inf Model. 2013 Sep 23;53(9):2483-92. doi: 10.1021/ci400368v. Epub 2013 Sep 12. J Chem Inf Model. 2013. PMID: 23991755 Free PMC article.

9

Chemical structure identification in metabolomics: computational modeling of experimental features.

Menikarachchi LC, Hamdalla MA, Hill DW, Grant DF. Menikarachchi LC, et al. Among authors: hill dw. Comput Struct Biotechnol J. 2013 Mar 1;5:e201302005. doi: 10.5936/csbj.201302005. eCollection 2013. Comput Struct Biotechnol J. 2013. PMID: 24688698 Free PMC article. Review.

10

Development of Database Assisted Structure Identification (DASI) Methods for Nontargeted Metabolomics.

Menikarachchi LC, Dubey R, Hill DW, Brush DN, Grant DF. Menikarachchi LC, et al. Among authors: hill dw. Metabolites. 2016 May 31;6(2):17. doi: 10.3390/metabo6020017. Metabolites. 2016. PMID: 27258318 Free PMC article.

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