Lowe CN - Search Results

1

Transparency in Modeling through Careful Application of OECD's QSAR/QSPR Principles via a Curated Water Solubility Data Set.

Lowe CN, Charest N, Ramsland C, Chang DT, Martin TM, Williams AJ. Lowe CN, et al. Chem Res Toxicol. 2023 Mar 20;36(3):465-478. doi: 10.1021/acs.chemrestox.2c00379. Epub 2023 Mar 6. Chem Res Toxicol. 2023. PMID: 36877669 Free PMC article.

2

Revisiting Five Years of CASMI Contests with EPA Identification Tools.

McEachran AD, Chao A, Al-Ghoul H, Lowe C, Grulke C, Sobus JR, Williams AJ. McEachran AD, et al. Metabolites. 2020 Jun 23;10(6):260. doi: 10.3390/metabo10060260. Metabolites. 2020. PMID: 32585902 Free PMC article.

3

Enabling High-Throughput Searches for Multiple Chemical Data Using the U.S.-EPA CompTox Chemicals Dashboard.

Lowe CN, Williams AJ. Lowe CN, et al. J Chem Inf Model. 2021 Feb 22;61(2):565-570. doi: 10.1021/acs.jcim.0c01273. Epub 2021 Jan 22. J Chem Inf Model. 2021. PMID: 33481596 Free PMC article.

4

Using the US EPA CompTox Chemicals Dashboard to interpret targeted and non-targeted GC-MS analyses from human breath and other biological media.

Pleil JD, Lowe CN, Wallace MAG, Williams AJ. Pleil JD, et al. Among authors: lowe cn. J Breath Res. 2021 Mar 18;15(2):025001. doi: 10.1088/1752-7163/abdb03. J Breath Res. 2021. PMID: 33734097

5

Chemical Characterization of Recycled Consumer Products Using Suspect Screening Analysis.

Lowe CN, Phillips KA, Favela KA, Yau AY, Wambaugh JF, Sobus JR, Williams AJ, Pfirrman AJ, Isaacs KK. Lowe CN, et al. Environ Sci Technol. 2021 Aug 17;55(16):11375-11387. doi: 10.1021/acs.est.1c01907. Epub 2021 Aug 4. Environ Sci Technol. 2021. PMID: 34347456 Free PMC article.

6

Predicting compound amenability with liquid chromatography-mass spectrometry to improve non-targeted analysis.

Lowe CN, Isaacs KK, McEachran A, Grulke CM, Sobus JR, Ulrich EM, Richard A, Chao A, Wambaugh J, Williams AJ. Lowe CN, et al. Anal Bioanal Chem. 2021 Dec;413(30):7495-7508. doi: 10.1007/s00216-021-03713-w. Epub 2021 Oct 14. Anal Bioanal Chem. 2021. PMID: 34648052 Free PMC article.

7

Uncertainty estimation strategies for quantitative non-targeted analysis.

Groff LC 2nd, Grossman JN, Kruve A, Minucci JM, Lowe CN, McCord JP, Kapraun DF, Phillips KA, Purucker ST, Chao A, Ring CL, Williams AJ, Sobus JR. Groff LC 2nd, et al. Among authors: lowe cn. Anal Bioanal Chem. 2022 Jul;414(17):4919-4933. doi: 10.1007/s00216-022-04118-z. Epub 2022 Jun 14. Anal Bioanal Chem. 2022. PMID: 35699740 Free PMC article.

8

Assembly and Curation of Lists of Per- and Polyfluoroalkyl Substances (PFAS) to Support Environmental Science Research.

Williams AJ, Gaines LGT, Grulke CM, Lowe CN, Sinclair GFB, Samano V, Thillainadarajah I, Meyer B, Patlewicz G, Richard AM. Williams AJ, et al. Among authors: lowe cn. Front Environ Sci. 2022 Apr 5;10:1-13. doi: 10.3389/fenvs.2022.850019. Front Environ Sci. 2022. PMID: 35936994 Free PMC article.

9

Exploring chemical space in non-targeted analysis: a proposed ChemSpace tool.

Black G, Lowe C, Anumol T, Bade J, Favela K, Feng YL, Knolhoff A, Mceachran A, Nuñez J, Fisher C, Peter K, Quinete NS, Sobus J, Sussman E, Watson W, Wickramasekara S, Williams A, Young T. Black G, et al. Anal Bioanal Chem. 2023 Jan;415(1):35-44. doi: 10.1007/s00216-022-04434-4. Epub 2022 Nov 26. Anal Bioanal Chem. 2023. PMID: 36435841 Free PMC article.

10

Free and open-source QSAR-ready workflow for automated standardization of chemical structures in support of QSAR modeling.

Mansouri K, Moreira-Filho JT, Lowe CN, Charest N, Martin T, Tkachenko V, Judson R, Conway M, Kleinstreuer NC, Williams AJ. Mansouri K, et al. Among authors: lowe cn. J Cheminform. 2024 Feb 20;16(1):19. doi: 10.1186/s13321-024-00814-3. J Cheminform. 2024. PMID: 38378618 Free PMC article.

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