Cargando…

PEtab—Interoperable specification of parameter estimation problems in systems biology

Reproducibility and reusability of the results of data-based modeling studies are essential. Yet, there has been—so far—no broadly supported format for the specification of parameter estimation problems in systems biology. Here, we introduce PEtab, a format which facilitates the specification of par...

Descripción completa

Detalles Bibliográficos
Autores principales: Schmiester, Leonard, Schälte, Yannik, Bergmann, Frank T., Camba, Tacio, Dudkin, Erika, Egert, Janine, Fröhlich, Fabian, Fuhrmann, Lara, Hauber, Adrian L., Kemmer, Svenja, Lakrisenko, Polina, Loos, Carolin, Merkt, Simon, Müller, Wolfgang, Pathirana, Dilan, Raimúndez, Elba, Refisch, Lukas, Rosenblatt, Marcus, Stapor, Paul L., Städter, Philipp, Wang, Dantong, Wieland, Franz-Georg, Banga, Julio R., Timmer, Jens, Villaverde, Alejandro F., Sahle, Sven, Kreutz, Clemens, Hasenauer, Jan, Weindl, Daniel
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Public Library of Science 2021
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7864467/
https://www.ncbi.nlm.nih.gov/pubmed/33497393
http://dx.doi.org/10.1371/journal.pcbi.1008646
_version_ 1783647669740109824
author Schmiester, Leonard
Schälte, Yannik
Bergmann, Frank T.
Camba, Tacio
Dudkin, Erika
Egert, Janine
Fröhlich, Fabian
Fuhrmann, Lara
Hauber, Adrian L.
Kemmer, Svenja
Lakrisenko, Polina
Loos, Carolin
Merkt, Simon
Müller, Wolfgang
Pathirana, Dilan
Raimúndez, Elba
Refisch, Lukas
Rosenblatt, Marcus
Stapor, Paul L.
Städter, Philipp
Wang, Dantong
Wieland, Franz-Georg
Banga, Julio R.
Timmer, Jens
Villaverde, Alejandro F.
Sahle, Sven
Kreutz, Clemens
Hasenauer, Jan
Weindl, Daniel
author_facet Schmiester, Leonard
Schälte, Yannik
Bergmann, Frank T.
Camba, Tacio
Dudkin, Erika
Egert, Janine
Fröhlich, Fabian
Fuhrmann, Lara
Hauber, Adrian L.
Kemmer, Svenja
Lakrisenko, Polina
Loos, Carolin
Merkt, Simon
Müller, Wolfgang
Pathirana, Dilan
Raimúndez, Elba
Refisch, Lukas
Rosenblatt, Marcus
Stapor, Paul L.
Städter, Philipp
Wang, Dantong
Wieland, Franz-Georg
Banga, Julio R.
Timmer, Jens
Villaverde, Alejandro F.
Sahle, Sven
Kreutz, Clemens
Hasenauer, Jan
Weindl, Daniel
author_sort Schmiester, Leonard
collection PubMed
description Reproducibility and reusability of the results of data-based modeling studies are essential. Yet, there has been—so far—no broadly supported format for the specification of parameter estimation problems in systems biology. Here, we introduce PEtab, a format which facilitates the specification of parameter estimation problems using Systems Biology Markup Language (SBML) models and a set of tab-separated value files describing the observation model and experimental data as well as parameters to be estimated. We already implemented PEtab support into eight well-established model simulation and parameter estimation toolboxes with hundreds of users in total. We provide a Python library for validation and modification of a PEtab problem and currently 20 example parameter estimation problems based on recent studies.
format Online
Article
Text
id pubmed-7864467
institution National Center for Biotechnology Information
language English
publishDate 2021
publisher Public Library of Science
record_format MEDLINE/PubMed
spelling pubmed-78644672021-02-12 PEtab—Interoperable specification of parameter estimation problems in systems biology Schmiester, Leonard Schälte, Yannik Bergmann, Frank T. Camba, Tacio Dudkin, Erika Egert, Janine Fröhlich, Fabian Fuhrmann, Lara Hauber, Adrian L. Kemmer, Svenja Lakrisenko, Polina Loos, Carolin Merkt, Simon Müller, Wolfgang Pathirana, Dilan Raimúndez, Elba Refisch, Lukas Rosenblatt, Marcus Stapor, Paul L. Städter, Philipp Wang, Dantong Wieland, Franz-Georg Banga, Julio R. Timmer, Jens Villaverde, Alejandro F. Sahle, Sven Kreutz, Clemens Hasenauer, Jan Weindl, Daniel PLoS Comput Biol Research Article Reproducibility and reusability of the results of data-based modeling studies are essential. Yet, there has been—so far—no broadly supported format for the specification of parameter estimation problems in systems biology. Here, we introduce PEtab, a format which facilitates the specification of parameter estimation problems using Systems Biology Markup Language (SBML) models and a set of tab-separated value files describing the observation model and experimental data as well as parameters to be estimated. We already implemented PEtab support into eight well-established model simulation and parameter estimation toolboxes with hundreds of users in total. We provide a Python library for validation and modification of a PEtab problem and currently 20 example parameter estimation problems based on recent studies. Public Library of Science 2021-01-26 /pmc/articles/PMC7864467/ /pubmed/33497393 http://dx.doi.org/10.1371/journal.pcbi.1008646 Text en © 2021 Schmiester et al http://creativecommons.org/licenses/by/4.0/ This is an open access article distributed under the terms of the Creative Commons Attribution License (http://creativecommons.org/licenses/by/4.0/) , which permits unrestricted use, distribution, and reproduction in any medium, provided the original author and source are credited.
spellingShingle Research Article
Schmiester, Leonard
Schälte, Yannik
Bergmann, Frank T.
Camba, Tacio
Dudkin, Erika
Egert, Janine
Fröhlich, Fabian
Fuhrmann, Lara
Hauber, Adrian L.
Kemmer, Svenja
Lakrisenko, Polina
Loos, Carolin
Merkt, Simon
Müller, Wolfgang
Pathirana, Dilan
Raimúndez, Elba
Refisch, Lukas
Rosenblatt, Marcus
Stapor, Paul L.
Städter, Philipp
Wang, Dantong
Wieland, Franz-Georg
Banga, Julio R.
Timmer, Jens
Villaverde, Alejandro F.
Sahle, Sven
Kreutz, Clemens
Hasenauer, Jan
Weindl, Daniel
PEtab—Interoperable specification of parameter estimation problems in systems biology
title PEtab—Interoperable specification of parameter estimation problems in systems biology
title_full PEtab—Interoperable specification of parameter estimation problems in systems biology
title_fullStr PEtab—Interoperable specification of parameter estimation problems in systems biology
title_full_unstemmed PEtab—Interoperable specification of parameter estimation problems in systems biology
title_short PEtab—Interoperable specification of parameter estimation problems in systems biology
title_sort petab—interoperable specification of parameter estimation problems in systems biology
topic Research Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7864467/
https://www.ncbi.nlm.nih.gov/pubmed/33497393
http://dx.doi.org/10.1371/journal.pcbi.1008646
work_keys_str_mv AT schmiesterleonard petabinteroperablespecificationofparameterestimationproblemsinsystemsbiology
AT schalteyannik petabinteroperablespecificationofparameterestimationproblemsinsystemsbiology
AT bergmannfrankt petabinteroperablespecificationofparameterestimationproblemsinsystemsbiology
AT cambatacio petabinteroperablespecificationofparameterestimationproblemsinsystemsbiology
AT dudkinerika petabinteroperablespecificationofparameterestimationproblemsinsystemsbiology
AT egertjanine petabinteroperablespecificationofparameterestimationproblemsinsystemsbiology
AT frohlichfabian petabinteroperablespecificationofparameterestimationproblemsinsystemsbiology
AT fuhrmannlara petabinteroperablespecificationofparameterestimationproblemsinsystemsbiology
AT hauberadrianl petabinteroperablespecificationofparameterestimationproblemsinsystemsbiology
AT kemmersvenja petabinteroperablespecificationofparameterestimationproblemsinsystemsbiology
AT lakrisenkopolina petabinteroperablespecificationofparameterestimationproblemsinsystemsbiology
AT looscarolin petabinteroperablespecificationofparameterestimationproblemsinsystemsbiology
AT merktsimon petabinteroperablespecificationofparameterestimationproblemsinsystemsbiology
AT mullerwolfgang petabinteroperablespecificationofparameterestimationproblemsinsystemsbiology
AT pathiranadilan petabinteroperablespecificationofparameterestimationproblemsinsystemsbiology
AT raimundezelba petabinteroperablespecificationofparameterestimationproblemsinsystemsbiology
AT refischlukas petabinteroperablespecificationofparameterestimationproblemsinsystemsbiology
AT rosenblattmarcus petabinteroperablespecificationofparameterestimationproblemsinsystemsbiology
AT staporpaull petabinteroperablespecificationofparameterestimationproblemsinsystemsbiology
AT stadterphilipp petabinteroperablespecificationofparameterestimationproblemsinsystemsbiology
AT wangdantong petabinteroperablespecificationofparameterestimationproblemsinsystemsbiology
AT wielandfranzgeorg petabinteroperablespecificationofparameterestimationproblemsinsystemsbiology
AT bangajulior petabinteroperablespecificationofparameterestimationproblemsinsystemsbiology
AT timmerjens petabinteroperablespecificationofparameterestimationproblemsinsystemsbiology
AT villaverdealejandrof petabinteroperablespecificationofparameterestimationproblemsinsystemsbiology
AT sahlesven petabinteroperablespecificationofparameterestimationproblemsinsystemsbiology
AT kreutzclemens petabinteroperablespecificationofparameterestimationproblemsinsystemsbiology
AT hasenauerjan petabinteroperablespecificationofparameterestimationproblemsinsystemsbiology
AT weindldaniel petabinteroperablespecificationofparameterestimationproblemsinsystemsbiology