Detalhe da pesquisa
1.
Online and Offline Prioritization of Chemicals of Interest in Suspect Screening and Non-targeted Screening with High-Resolution Mass Spectrometry.
Anal Chem
; 96(9): 3707-3716, 2024 Mar 05.
Artigo
em Inglês
| MEDLINE | ID: mdl-38380899
2.
(Non)targeted Chemical Analysis and Risk Assessment of Organic Contaminants in Darkibor Kale Grown at Rural and Urban Farms.
Environ Sci Technol
; 58(8): 3690-3701, 2024 Feb 27.
Artigo
em Inglês
| MEDLINE | ID: mdl-38350027
3.
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
4.
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
5.
A New CSRML Structure-Based Fingerprint Method for Profiling and Categorizing Per- and Polyfluoroalkyl Substances (PFAS).
Chem Res Toxicol
; 36(3): 508-534, 2023 03 20.
Artigo
em Inglês
| MEDLINE | ID: mdl-36862450
6.
Demonstrating the Use of Non-targeted Analysis for Identification of Unknown Chemicals in Rapid Response Scenarios.
Environ Sci Technol
; 57(8): 3075-3084, 2023 Feb 28.
Artigo
em Inglês
| MEDLINE | ID: mdl-36796018
7.
Wikipedia on the CompTox Chemicals Dashboard: Connecting Resources to Enrich Public Chemical Data.
J Chem Inf Model
; 62(20): 4888-4905, 2022 10 24.
Artigo
em Inglês
| MEDLINE | ID: mdl-36215146
8.
CAS Common Chemistry in 2021: Expanding Access to Trusted Chemical Information for the Scientific Community.
J Chem Inf Model
; 62(11): 2737-2743, 2022 06 13.
Artigo
em Inglês
| MEDLINE | ID: mdl-35559614
9.
Assessing the External Exposome Using Wearable Passive Samplers and High-Resolution Mass Spectrometry among South African Children Participating in the VHEMBE Study.
Environ Sci Technol
; 56(4): 2191-2203, 2022 02 15.
Artigo
em Inglês
| MEDLINE | ID: mdl-35089017
10.
FluoroMatch 2.0-making automated and comprehensive non-targeted PFAS annotation a reality.
Anal Bioanal Chem
; 414(3): 1201-1215, 2022 Jan.
Artigo
em Inglês
| MEDLINE | ID: mdl-34014358
11.
Uncertainty estimation strategies for quantitative non-targeted analysis.
Anal Bioanal Chem
; 414(17): 4919-4933, 2022 Jul.
Artigo
em Inglês
| MEDLINE | ID: mdl-35699740
12.
Development and Application of Liquid Chromatographic Retention Time Indices in HRMS-Based Suspect and Nontarget Screening.
Anal Chem
; 93(33): 11601-11611, 2021 08 24.
Artigo
em Inglês
| MEDLINE | ID: mdl-34382770
13.
An Introduction to the Benchmarking and Publications for Non-Targeted Analysis Working Group.
Anal Chem
; 93(49): 16289-16296, 2021 12 14.
Artigo
em Inglês
| MEDLINE | ID: mdl-34842413
14.
The Tox21 10K Compound Library: Collaborative Chemistry Advancing Toxicology.
Chem Res Toxicol
; 34(2): 189-216, 2021 02 15.
Artigo
em Inglês
| MEDLINE | ID: mdl-33140634
15.
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
16.
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
17.
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
18.
Progress towards an OECD reporting framework for transcriptomics and metabolomics in regulatory toxicology.
Regul Toxicol Pharmacol
; 125: 105020, 2021 Oct.
Artigo
em Inglês
| MEDLINE | ID: mdl-34333066
19.
Repurposing Quaternary Ammonium Compounds as Potential Treatments for COVID-19.
Pharm Res
; 37(6): 104, 2020 May 25.
Artigo
em Inglês
| MEDLINE | ID: mdl-32451736
20.
In silico MS/MS spectra for identifying unknowns: a critical examination using CFM-ID algorithms and ENTACT mixture samples.
Anal Bioanal Chem
; 412(6): 1303-1315, 2020 Feb.
Artigo
em Inglês
| MEDLINE | ID: mdl-31965249