Detalhe da pesquisa
1.
Cumulative Neutral Loss Model for Fragment Deconvolution in Electrospray Ionization High-Resolution Mass Spectrometry Data.
Anal Chem
; 95(33): 12247-12255, 2023 Aug 22.
Artigo
em Inglês
| MEDLINE | ID: mdl-37549176
2.
Chemometric Strategies for Fully Automated Interpretive Method Development in Liquid Chromatography.
Anal Chem
; 94(46): 16060-16068, 2022 11 22.
Artigo
em Inglês
| MEDLINE | ID: mdl-36318471
3.
Collision Cross Section Prediction with Molecular Fingerprint Using Machine Learning.
Molecules
; 27(19)2022 Sep 29.
Artigo
em Inglês
| MEDLINE | ID: mdl-36234961
4.
Workflow to facilitate the detection of new psychoactive substances and drugs of abuse in influent urban wastewater.
J Hazard Mater
; 469: 133955, 2024 May 05.
Artigo
em Inglês
| MEDLINE | ID: mdl-38457976
5.
Predicting RP-LC retention indices of structurally unknown chemicals from mass spectrometry data.
J Cheminform
; 15(1): 28, 2023 Feb 24.
Artigo
em Inglês
| MEDLINE | ID: mdl-36829215
6.
InSpectra - A platform for identifying emerging chemical threats.
J Hazard Mater
; 455: 131486, 2023 Aug 05.
Artigo
em Inglês
| MEDLINE | ID: mdl-37172382
7.
Inter-laboratory mass spectrometry dataset based on passive sampling of drinking water for non-target analysis.
Sci Data
; 8(1): 223, 2021 08 24.
Artigo
em Inglês
| MEDLINE | ID: mdl-34429429