pyPESTO: a modular and scalable tool for parameter estimation for dynamic models.


Journal

Bioinformatics (Oxford, England)
ISSN: 1367-4811
Titre abrégé: Bioinformatics
Pays: England
ID NLM: 9808944

Informations de publication

Date de publication:
01 Nov 2023
Historique:
received: 03 05 2023
revised: 02 10 2023
accepted: 22 11 2023
medline: 4 12 2023
pubmed: 23 11 2023
entrez: 23 11 2023
Statut: ppublish

Résumé

Mechanistic models are important tools to describe and understand biological processes. However, they typically rely on unknown parameters, the estimation of which can be challenging for large and complex systems. pyPESTO is a modular framework for systematic parameter estimation, with scalable algorithms for optimization and uncertainty quantification. While tailored to ordinary differential equation problems, pyPESTO is broadly applicable to black-box parameter estimation problems. Besides own implementations, it provides a unified interface to various popular simulation and inference methods. pyPESTO is implemented in Python, open-source under a 3-Clause BSD license. Code and documentation are available on GitHub (https://github.com/icb-dcm/pypesto).

Identifiants

pubmed: 37995297
pii: 7443974
doi: 10.1093/bioinformatics/btad711
pmc: PMC10689677
pii:
doi:

Types de publication

Journal Article

Langues

eng

Sous-ensembles de citation

IM

Subventions

Organisme : German Research Foundation
Organisme : Germany's Excellence Strategy
ID : EXC 2047/1 390685813
Organisme : Human Frontier Science Program
Organisme : German Federal Ministry of Education and Research
Organisme : Joachim Herz Foundation

Informations de copyright

© The Author(s) 2023. Published by Oxford University Press.

Références

PeerJ Comput Sci. 2023 Sep 1;9:e1516
pubmed: 37705656
Bioinformatics. 2006 Dec 15;22(24):3067-74
pubmed: 17032683
Nat Methods. 2020 Mar;17(3):261-272
pubmed: 32015543
PLoS One. 2013 Sep 30;8(9):e74335
pubmed: 24098642
Methods Mol Biol. 2019;1883:385-422
pubmed: 30547409
BMC Syst Biol. 2017 Jun 24;11(1):63
pubmed: 28646868
Bioinformatics. 2018 Feb 15;34(4):705-707
pubmed: 29069312
PLoS Comput Biol. 2022 Jul 13;18(7):e1010322
pubmed: 35830470
Science. 2002 Mar 1;295(5560):1662-4
pubmed: 11872829
Bioinformatics. 2021 Oct 25;37(20):3676-3677
pubmed: 33821950
J Math Biol. 2020 Aug;81(2):603-623
pubmed: 32696085
PLoS Comput Biol. 2021 Jan 26;17(1):e1008646
pubmed: 33497393
Bioinformatics. 2020 Jan 15;36(2):594-602
pubmed: 31347657
Bioinformatics. 2009 Aug 1;25(15):1923-9
pubmed: 19505944

Auteurs

Yannik Schälte (Y)

Life and Medical Sciences (LIMES) Institute, University of Bonn, 53113 Bonn, Germany.
Computational Health Center, Helmholtz Zentrum München Deutsches Forschungszentrum für Gesundheit und Umwelt (GmbH), 85764 Neuherberg, Germany.
Department of Mathematics, Technical University of Munich, 85748 Garching, Germany.

Fabian Fröhlich (F)

Department of Systems Biology, Harvard Medical School, Boston, MA 02115, United States.

Paul J Jost (PJ)

Life and Medical Sciences (LIMES) Institute, University of Bonn, 53113 Bonn, Germany.

Jakob Vanhoefer (J)

Life and Medical Sciences (LIMES) Institute, University of Bonn, 53113 Bonn, Germany.

Dilan Pathirana (D)

Life and Medical Sciences (LIMES) Institute, University of Bonn, 53113 Bonn, Germany.

Paul Stapor (P)

Computational Health Center, Helmholtz Zentrum München Deutsches Forschungszentrum für Gesundheit und Umwelt (GmbH), 85764 Neuherberg, Germany.
Department of Mathematics, Technical University of Munich, 85748 Garching, Germany.

Polina Lakrisenko (P)

Computational Health Center, Helmholtz Zentrum München Deutsches Forschungszentrum für Gesundheit und Umwelt (GmbH), 85764 Neuherberg, Germany.
School of Life Sciences, Technical University of Munich, 85354 Freising, Germany.

Dantong Wang (D)

Computational Health Center, Helmholtz Zentrum München Deutsches Forschungszentrum für Gesundheit und Umwelt (GmbH), 85764 Neuherberg, Germany.
Department of Mathematics, Technical University of Munich, 85748 Garching, Germany.

Elba Raimúndez (E)

Life and Medical Sciences (LIMES) Institute, University of Bonn, 53113 Bonn, Germany.
Computational Health Center, Helmholtz Zentrum München Deutsches Forschungszentrum für Gesundheit und Umwelt (GmbH), 85764 Neuherberg, Germany.
Department of Mathematics, Technical University of Munich, 85748 Garching, Germany.

Simon Merkt (S)

Life and Medical Sciences (LIMES) Institute, University of Bonn, 53113 Bonn, Germany.

Leonard Schmiester (L)

Computational Health Center, Helmholtz Zentrum München Deutsches Forschungszentrum für Gesundheit und Umwelt (GmbH), 85764 Neuherberg, Germany.
Department of Mathematics, Technical University of Munich, 85748 Garching, Germany.

Philipp Städter (P)

Computational Health Center, Helmholtz Zentrum München Deutsches Forschungszentrum für Gesundheit und Umwelt (GmbH), 85764 Neuherberg, Germany.
Department of Mathematics, Technical University of Munich, 85748 Garching, Germany.
Leibniz Institute for Natural Product Research and Infection Biology, 07745 Jena, Germany.

Stephan Grein (S)

Life and Medical Sciences (LIMES) Institute, University of Bonn, 53113 Bonn, Germany.

Erika Dudkin (E)

Life and Medical Sciences (LIMES) Institute, University of Bonn, 53113 Bonn, Germany.

Domagoj Doresic (D)

Life and Medical Sciences (LIMES) Institute, University of Bonn, 53113 Bonn, Germany.

Daniel Weindl (D)

Computational Health Center, Helmholtz Zentrum München Deutsches Forschungszentrum für Gesundheit und Umwelt (GmbH), 85764 Neuherberg, Germany.

Jan Hasenauer (J)

Life and Medical Sciences (LIMES) Institute, University of Bonn, 53113 Bonn, Germany.
Computational Health Center, Helmholtz Zentrum München Deutsches Forschungszentrum für Gesundheit und Umwelt (GmbH), 85764 Neuherberg, Germany.
Department of Mathematics, Technical University of Munich, 85748 Garching, Germany.

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Classifications MeSH