Enabling high-throughput searches for multiple chemical data using the US-EPA CompTox chemicals dashboard CN Lowe, AJ Williams Journal of chemical information and modeling 61 (2), 565-570, 2021 | 42 | 2021 |
Assembly and curation of lists of per-and polyfluoroalkyl substances (PFAS) to support environmental science research AJ Williams, LGT Gaines, CM Grulke, CN Lowe, GFB Sinclair, V Samano, ... Frontiers in environmental science 10, 850019, 2022 | 34 | 2022 |
Chemical characterization of recycled consumer products using suspect screening analysis CN Lowe, KA Phillips, KA Favela, AY Yau, JF Wambaugh, JR Sobus, ... Environmental science & technology 55 (16), 11375-11387, 2021 | 32 | 2021 |
Exploring chemical space in non-targeted analysis: a proposed ChemSpace tool G Black, C Lowe, T Anumol, J Bade, K Favela, YL Feng, A Knolhoff, ... Analytical and Bioanalytical Chemistry 415 (1), 35-44, 2023 | 23 | 2023 |
Uncertainty estimation strategies for quantitative non-targeted analysis LC Groff, JN Grossman, A Kruve, JM Minucci, CN Lowe, JP McCord, ... Analytical and bioanalytical chemistry 414 (17), 4919-4933, 2022 | 23 | 2022 |
Predicting compound amenability with liquid chromatography-mass spectrometry to improve non-targeted analysis CN Lowe, KK Isaacs, A McEachran, CM Grulke, JR Sobus, EM Ulrich, ... Analytical and bioanalytical chemistry 413, 7495-7508, 2021 | 16 | 2021 |
Revisiting five years of CASMI contests with EPA identification tools AD McEachran, A Chao, H Al-Ghoul, C Lowe, C Grulke, JR Sobus, ... Metabolites 10 (6), 260, 2020 | 15 | 2020 |
Transparency in modeling through careful application of OECD’s QSAR/QSPR principles via a curated water solubility data set CN Lowe, N Charest, C Ramsland, DT Chang, TM Martin, AJ Williams Chemical Research in Toxicology 36 (3), 465-478, 2023 | 7 | 2023 |
Using the US EPA CompTox Chemicals Dashboard to interpret targeted and non-targeted GC–MS analyses from human breath and other biological media JD Pleil, CN Lowe, MAG Wallace, AJ Williams Journal of breath research 15 (2), 025001, 2021 | 4 | 2021 |
Free and open-source QSAR-ready workflow for automated standardization of chemical structures in support of QSAR modeling K Mansouri, JT Moreira-Filho, CN Lowe, N Charest, T Martin, ... Journal of Cheminformatics 16 (1), 1-18, 2024 | 2 | 2024 |
Improving predictions of compound amenability for liquid chromatography–mass spectrometry to enhance non-targeted analysis N Charest, CN Lowe, C Ramsland, B Meyer, V Samano, AJ Williams Analytical and Bioanalytical Chemistry, 1-15, 2024 | | 2024 |
The Chemical Space Tool: Mapping and Visualization to Characterize Chemical Spaces C Lowe, N Charest, A Edelman-Munoz, C Ramsland, S Pu, J Sobus, ... SETAC North America 44th Annual Meeting, 2023 | | 2023 |
Exploring chemical space in non-targeted analysis: a proposed ChemSpace tool G Black, C Lowe, T Anumol, J Bade, K Favela, YL Feng, A Knolhoff, ... Analytical and bioanalytical chemistry 415 (1), 35, 2023 | | 2023 |