Hall LM - Search Results

1

Development of a Reverse Phase HPLC Retention Index Model for Nontargeted Metabolomics Using Synthetic Compounds.

Hall LM, Hill DW, Bugden K, Cawley S, Hall LH, Chen MH, Grant DF. Hall LM, et al. Among authors: hall lh. J Chem Inf Model. 2018 Mar 26;58(3):591-604. doi: 10.1021/acs.jcim.7b00496. Epub 2018 Mar 6. J Chem Inf Model. 2018. PMID: 29489351 Free PMC article.

2

Prediction of HPLC retention index using artificial neural networks and IGroup E-state indices.

Albaugh DR, Hall LM, Hill DW, Kertesz TM, Parham M, Hall LH, Grant DF. Albaugh DR, et al. Among authors: hall lh, hall lm. J Chem Inf Model. 2009 Apr;49(4):788-99. doi: 10.1021/ci9000162. J Chem Inf Model. 2009. PMID: 19309176

3

Development of Ecom₅₀ and retention index models for nontargeted metabolomics: identification of 1,3-dicyclohexylurea in human serum by HPLC/mass spectrometry.

Hall LM, Hall LH, Kertesz TM, Hill DW, Sharp TR, Oblak EZ, Dong YW, Wishart DS, Chen MH, Grant DF. Hall LM, et al. Among authors: hall lh. J Chem Inf Model. 2012 May 25;52(5):1222-37. doi: 10.1021/ci300092s. Epub 2012 Apr 27. J Chem Inf Model. 2012. PMID: 22489687 Free PMC article.

4

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: hall l, hall lm. 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.

5

Optimizing artificial neural network models for metabolomics and systems biology: an example using HPLC retention index data.

Hall LM, Hill DW, Menikarachchi LC, Chen MH, Hall LH, Grant DF. Hall LM, et al. Among authors: hall lh. Bioanalysis. 2015;7(8):939-55. doi: 10.4155/bio.15.1. Bioanalysis. 2015. PMID: 25966007 Free PMC article.

6

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: hall lm. 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.

7

Modeling drug albumin binding affinity with e-state topological structure representation.

Hall LM, Hall LH, Kier LB. Hall LM, et al. Among authors: hall lh. J Chem Inf Comput Sci. 2003 Nov-Dec;43(6):2120-8. doi: 10.1021/ci030019w. J Chem Inf Comput Sci. 2003. PMID: 14632464

8

Database searching for structural identification of metabolites in complex biofluids for mass spectrometry-based metabonomics.

Kertesz TM, Hill DW, Albaugh DR, Hall LH, Hall LM, Grant DF. Kertesz TM, et al. Among authors: hall lh, hall lm. Bioanalysis. 2009 Dec;1(9):1627-43. doi: 10.4155/bio.09.145. Bioanalysis. 2009. PMID: 21083108 Review.

9

Development of HPLC Retention Index QSAR Models for Nontargeted Metabolomics.

Hall LM, Hill DW, Hall LH, Kormos TM, Grant DF. Hall LM, et al. Among authors: hall lh. Adv Chromatogr. 2014;51:241-79. doi: 10.1201/b15308-7. Adv Chromatogr. 2014. PMID: 26462375 No abstract available.

10

Development of a two-step indirect method for modeling Ecom50.

Hall LH, Hall LM, Hill DW, Hawkins DM, Chen MH, Grant DF. Hall LH, et al. Among authors: hall lm. Curr Comput Aided Drug Des. 2014;10(4):374-82. doi: 10.2174/1573409911666141231113516. Curr Comput Aided Drug Des. 2014. PMID: 25549758

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