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PEtab—Interoperable specification of parameter estimation problems in systems biology

Leonard Schmiester, Yannik Schälte, Frank Bergmann, Tacio Camba, Erika Dudkin, Janine Egert, Fabian Fröhlich, Lara Fuhrmann, Adrian L. Hauber, Svenja Kemmer, Polina Lakrisenko, Carolin Loos, Simon Merkt, Wolfgang G. Müller, Dilan Pathirana, Elba Raimúndez, Lukas Refisch, Marcus Rosenblatt, Paul Stapor, Philipp Städter, Dantong Wang, Franz-Georg Wieland, Julio R. Banga, Jens Timmer, Alejandro F. Villaverde, Sven Sahle, Clemens Kreutz, Jan Hasenauer, Daniel Weindl

2021PLoS Computational Biology106 citationsDOIOpen Access PDF

Abstract

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.

Topics & Concepts

SBMLPython (programming language)Computer scienceInteroperabilityEstimation theoryMarkup languageReusabilitySystems biologySet (abstract data type)EstimationProgramming languageSoftware engineeringData miningSoftwareAlgorithmXMLBioinformaticsSystems engineeringBiologyOperating systemEngineeringGene Regulatory Network AnalysisBioinformatics and Genomic NetworksMicrobial Metabolic Engineering and Bioproduction