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1.
Cross-column density functional theory-based quantitative structure-retention relationship model development powered by machine learning.
Anal Bioanal Chem
; 416(12): 2951-2968, 2024 May.
Artículo
en Inglés
| MEDLINE | ID: mdl-38507043
2.
Prediction of Chromatographic Elution Order of Analytical Mixtures Based on Quantitative Structure-Retention Relationships and Multi-Objective Optimization.
Molecules
; 25(13)2020 Jul 06.
Artículo
en Inglés
| MEDLINE | ID: mdl-32640765
3.
Quantitative Structure-Retention Relationships with Non-Linear Programming for Prediction of Chromatographic Elution Order.
Int J Mol Sci
; 20(14)2019 Jul 12.
Artículo
en Inglés
| MEDLINE | ID: mdl-31336981
4.
Target-based drug discovery through inversion of quantitative structure-drug-property relationships and molecular simulation: CA IX-sulphonamide complexes.
J Enzyme Inhib Med Chem
; 33(1): 1430-1443, 2018 Dec.
Artículo
en Inglés
| MEDLINE | ID: mdl-30220229
5.
Silver-Lactoferrin Nanocomplexes as a Potent Antimicrobial Agent.
J Am Chem Soc
; 138(25): 7899-909, 2016 06 29.
Artículo
en Inglés
| MEDLINE | ID: mdl-27263865
6.
Addition: Column Characterization and Selection Systems in Reversed-Phase High-Performance Liquid Chromatography.
Chem Rev
; 119(7): 4818, 2019 Apr 10.
Artículo
en Inglés
| MEDLINE | ID: mdl-30924651
7.
Molecular descriptor subset selection in theoretical peptide quantitative structure-retention relationship model development using nature-inspired optimization algorithms.
Anal Chem
; 87(19): 9876-83, 2015 Oct 06.
Artículo
en Inglés
| MEDLINE | ID: mdl-26346190
8.
Non-target analysis of phospholipid and sphingolipid species in egg yolk using liquid chromatography/triple quadrupole tandem mass spectrometry.
J Chromatogr A
; 1487: 179-186, 2017 Mar 03.
Artículo
en Inglés
| MEDLINE | ID: mdl-28139226
9.
Assessment of column selection systems using Partial Least Squares.
J Chromatogr A
; 1420: 74-82, 2015 Nov 13.
Artículo
en Inglés
| MEDLINE | ID: mdl-26456514
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