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A multi-target QSRR approach to model retention times of small molecules in RPLC.

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Title: A multi-target QSRR approach to model retention times of small molecules in RPLC.
Authors: Kumari P; Department of Pharmacy, Laboratory of Pharmaceutical Analytical Chemistry, University of Liège (ULiege), CIRM, Quartier Hopital (B36 Tower 4), Avenue Hippocrate, 4000 Liège, Belgium; Laboratory for the Analysis of Medicines, University of Liège (ULiege), CIRM, Quartier Hopital (B36 Tower 4), Avenue Hippocrate, 4000 Liège, Belgium. Electronic address: priyanka.kumari@uliege.be., Van Laethem T; Department of Pharmacy, Laboratory of Pharmaceutical Analytical Chemistry, University of Liège (ULiege), CIRM, Quartier Hopital (B36 Tower 4), Avenue Hippocrate, 4000 Liège, Belgium; Laboratory for the Analysis of Medicines, University of Liège (ULiege), CIRM, Quartier Hopital (B36 Tower 4), Avenue Hippocrate, 4000 Liège, Belgium., Duroux D; ETH AI Center, OAT X11, Andreasstrasse 5, 8092 Zürich., Fillet M; Laboratory for the Analysis of Medicines, University of Liège (ULiege), CIRM, Quartier Hopital (B36 Tower 4), Avenue Hippocrate, 4000 Liège, Belgium., Hubert P; Department of Pharmacy, Laboratory of Pharmaceutical Analytical Chemistry, University of Liège (ULiege), CIRM, Quartier Hopital (B36 Tower 4), Avenue Hippocrate, 4000 Liège, Belgium., Sacré PY; Department of Pharmacy, Laboratory of Pharmaceutical Analytical Chemistry, University of Liège (ULiege), CIRM, Quartier Hopital (B36 Tower 4), Avenue Hippocrate, 4000 Liège, Belgium., Hubert C; Department of Pharmacy, Laboratory of Pharmaceutical Analytical Chemistry, University of Liège (ULiege), CIRM, Quartier Hopital (B36 Tower 4), Avenue Hippocrate, 4000 Liège, Belgium. Electronic address: cedric.hubert@uliege.be.
Source: Journal of pharmaceutical and biomedical analysis [J Pharm Biomed Anal] 2023 Nov 30; Vol. 236, pp. 115690. Date of Electronic Publication: 2023 Sep 04.
Publication Type: Journal Article
Journal Info: Publisher: Elsevier Science Country of Publication: England NLM ID: 8309336 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1873-264X (Electronic) Linking ISSN: 07317085 NLM ISO Abbreviation: J Pharm Biomed Anal Subsets: MEDLINE
Database: MEDLINE Ultimate
Description
ISSN:1873-264X
DOI:10.1016/j.jpba.2023.115690