Benchmarking of Computational Methods for Creation of Retention Models in Quantitative Structure–Retention Relationships Studies-Reference-Cited by-同舟云学术

Benchmarking of Computational Methods for Creation of Retention Models in Quantitative Structure–Retention Relationships Studies

Published:2017-10-27 Issue:11 Volume:57 Page:2754-2762
ISSN:1549-9596
Container-title:Journal of Chemical Information and Modeling
language:en
Short-container-title:J. Chem. Inf. Model.

Author:

Amos Ruth I. J.¹^ORCID,Tyteca Eva¹²,Talebi Mohammad¹,Haddad Paul R.¹,Szucs Roman³,Dolan John W.⁴,Pohl Christopher A.⁵^ORCID

Affiliation:

1. Australian Centre for Research on Separation Science (ACROSS), School of Physical Sciences−Chemistry, University of Tasmania, Private Bag 75, Hobart 7001, Australia

2. Analytical Chemistry, AgroBioChem Department, Gembloux Agro-Biotech, University of Liège, 2 Passage des Deportes, Gembloux 5030, Belgium

3. Pfizer Global Research and Development, Ramsgate Road, Sandwich CT13 9ND, U.K.

4. LC Resources, 1795 NW Wallace Road, McMinnville, Oregon 97128, United States

5. Thermo Fisher Scientific, 490 Lakeside Drive, Sunnyvale, California 94085, United States

Funder

Australian Research Council

Publisher

American Chemical Society (ACS)

Subject

Library and Information Sciences,Computer Science Applications,General Chemical Engineering,General Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jcim.7b00346

Reference72 articles.

1. Review on modelling aspects in reversed-phase liquid chromatographic quantitative structure–retention relationships

2. Increasing selectivity and coverage in LC-MS based metabolome analysis

3. Metabolomics: An emerging tool to evaluate the impact of nutritional and physiological challenges

4. Investigation of pharmaceuticals and illicit drugs in waters by liquid chromatography-high-resolution mass spectrometry

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