{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,2,26]],"date-time":"2026-02-26T20:34:35Z","timestamp":1772138075777,"version":"3.50.1"},"reference-count":21,"publisher":"Oxford University Press (OUP)","issue":"9","license":[{"start":{"date-parts":[[2025,8,21]],"date-time":"2025-08-21T00:00:00Z","timestamp":1755734400000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/creativecommons.org\/licenses\/by\/4.0\/"}],"funder":[{"DOI":"10.13039\/100020806","name":"ANR","doi-asserted-by":"publisher","id":[{"id":"10.13039\/100020806","id-type":"DOI","asserted-by":"publisher"}]},{"name":"MICA department of INRAE"},{"name":"R\u00e9gion Occitanie"},{"name":"Agence Nationale de la Recherche under the Investissements d\u2018Avenir Programme","award":["ANR-18-EURE-0021"],"award-info":[{"award-number":["ANR-18-EURE-0021"]}]}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":[],"published-print":{"date-parts":[[2025,9,1]]},"abstract":"<jats:title>Abstract<\/jats:title>\n                  <jats:sec>\n                    <jats:title>Motivation<\/jats:title>\n                    <jats:p>Nuclear Magnetic Resonance (NMR) is widely used for quantitative analysis of metabolic systems. Accurate extraction of NMR signal parameters\u2014such as chemical shift, intensity, coupling constants, and linewidth\u2014is essential for obtaining information on the structure, concentration, and isotopic composition of metabolites.<\/jats:p>\n                  <\/jats:sec>\n                  <jats:sec>\n                    <jats:title>Results<\/jats:title>\n                    <jats:p>We present MultiNMRFit, an open-source software designed for high-throughput analysis of 1D NMR spectra, whether acquired individually or as pseudo-2D experiments. MultiNMRFit extracts signal parameters (e.g. intensity, area, chemical shift, and coupling constants) by fitting the experimental spectra using built-in or user-defined signal models that account for multiplicity, providing high flexibility along with robust and reproducible results. The software is accessible both as a Python library and via a graphical user interface, enabling intuitive use by end-users without computational expertise. We demonstrate the robustness and flexibility of MultiNMRFit on 1H, 13C, and 31P NMR datasets collected in metabolomics and isotope labeling studies.<\/jats:p>\n                  <\/jats:sec>\n                  <jats:sec>\n                    <jats:title>Availability and implementation<\/jats:title>\n                    <jats:p>MultiNMRFit is implemented in Python 3 and was tested on Unix, Windows, and MacOS platforms. The source code and the documentation are freely distributed under GPL3 license at https:\/\/github.com\/NMRTeamTBI\/MultiNMRFit\/ and https:\/\/multinmrfit.readthedocs.io, respectively.<\/jats:p>\n                  <\/jats:sec>","DOI":"10.1093\/bioinformatics\/btaf463","type":"journal-article","created":{"date-parts":[[2025,8,21]],"date-time":"2025-08-21T15:07:23Z","timestamp":1755788843000},"source":"Crossref","is-referenced-by-count":0,"title":["MultiNMRFit: a software to fit 1D and pseudo-2D NMR spectra"],"prefix":"10.1093","volume":"41","author":[{"ORCID":"https:\/\/orcid.org\/0000-0002-8136-9963","authenticated-orcid":false,"given":"Pierre","family":"Millard","sequence":"first","affiliation":[{"name":"Toulouse Biotechnology Institute (TBI), Universit\u00e9 de Toulouse, CNRS, INRA, INSA , 31077 Toulouse,","place":["France"]},{"name":"MetaToul-MetaboHUB, National Infrastructure of Metabolomics and Fluxomics , 31077 Toulouse,","place":["France"]}]},{"ORCID":"https:\/\/orcid.org\/0009-0008-1993-4918","authenticated-orcid":false,"given":"Lo\u00efc","family":"Le Gr\u00e9gam","sequence":"additional","affiliation":[{"name":"Toulouse Biotechnology Institute (TBI), Universit\u00e9 de Toulouse, CNRS, INRA, INSA , 31077 Toulouse,","place":["France"]},{"name":"MetaToul-MetaboHUB, National Infrastructure of Metabolomics and Fluxomics , 31077 Toulouse,","place":["France"]}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-9225-5534","authenticated-orcid":false,"given":"Svetlana","family":"Dubiley","sequence":"additional","affiliation":[{"name":"Toulouse Biotechnology Institute (TBI), Universit\u00e9 de Toulouse, CNRS, INRA, INSA , 31077 Toulouse,","place":["France"]}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-0475-5032","authenticated-orcid":false,"given":"Valeria","family":"Gabrielli","sequence":"additional","affiliation":[{"name":"Toulouse Biotechnology Institute (TBI), Universit\u00e9 de Toulouse, CNRS, INRA, INSA , 31077 Toulouse,","place":["France"]}]},{"ORCID":"https:\/\/orcid.org\/0009-0009-3504-201X","authenticated-orcid":false,"given":"Thomas","family":"Gosselin-Monplaisir","sequence":"additional","affiliation":[{"name":"Toulouse Biotechnology Institute (TBI), Universit\u00e9 de Toulouse, CNRS, INRA, INSA , 31077 Toulouse,","place":["France"]}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-8236-0901","authenticated-orcid":false,"given":"Guy","family":"Lippens","sequence":"additional","affiliation":[{"name":"Toulouse Biotechnology Institute (TBI), Universit\u00e9 de Toulouse, CNRS, INRA, INSA , 31077 Toulouse,","place":["France"]}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-4821-3166","authenticated-orcid":false,"given":"Cyril","family":"Charlier","sequence":"additional","affiliation":[{"name":"Toulouse Biotechnology Institute (TBI), Universit\u00e9 de Toulouse, CNRS, INRA, INSA , 31077 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