Detalhe da pesquisa
1.
Improving predictions of compound amenability for liquid chromatography-mass spectrometry to enhance non-targeted analysis.
Anal Bioanal Chem
; 416(10): 2565-2579, 2024 Apr.
Artigo
em Inglês
| MEDLINE | ID: mdl-38530399
2.
Transparency in Modeling through Careful Application of OECD's QSAR/QSPR Principles via a Curated Water Solubility Data Set.
Chem Res Toxicol
; 36(3): 465-478, 2023 03 20.
Artigo
em Inglês
| MEDLINE | ID: mdl-36877669
3.
Uncertainty estimation strategies for quantitative non-targeted analysis.
Anal Bioanal Chem
; 414(17): 4919-4933, 2022 Jul.
Artigo
em Inglês
| MEDLINE | ID: mdl-35699740
4.
Enabling High-Throughput Searches for Multiple Chemical Data Using the U.S.-EPA CompTox Chemicals Dashboard.
J Chem Inf Model
; 61(2): 565-570, 2021 02 22.
Artigo
em Inglês
| MEDLINE | ID: mdl-33481596
5.
Chemical Characterization of Recycled Consumer Products Using Suspect Screening Analysis.
Environ Sci Technol
; 55(16): 11375-11387, 2021 08 17.
Artigo
em Inglês
| MEDLINE | ID: mdl-34347456
6.
Predicting compound amenability with liquid chromatography-mass spectrometry to improve non-targeted analysis.
Anal Bioanal Chem
; 413(30): 7495-7508, 2021 Dec.
Artigo
em Inglês
| MEDLINE | ID: mdl-34648052
7.
Free and open-source QSAR-ready workflow for automated standardization of chemical structures in support of QSAR modeling.
J Cheminform
; 16(1): 19, 2024 Feb 20.
Artigo
em Inglês
| MEDLINE | ID: mdl-38378618
8.
Assembly and Curation of Lists of Per- and Polyfluoroalkyl Substances (PFAS) to Support Environmental Science Research.
Front Environ Sci
; 10: 1-13, 2022 Apr 05.
Artigo
em Inglês
| MEDLINE | ID: mdl-35936994
9.
Using the US EPA CompTox Chemicals Dashboard to interpret targeted and non-targeted GC-MS analyses from human breath and other biological media.
J Breath Res
; 15(2): 025001, 2021 03 18.
Artigo
em Inglês
| MEDLINE | ID: mdl-33734097