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      Characteristics of mathematical modeling languages that facilitate model reuse in systems biology: a software engineering perspective

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          Abstract

          Reuse of mathematical models becomes increasingly important in systems biology as research moves toward large, multi-scale models composed of heterogeneous subcomponents. Currently, many models are not easily reusable due to inflexible or confusing code, inappropriate languages, or insufficient documentation. Best practice suggestions rarely cover such low-level design aspects. This gap could be filled by software engineering, which addresses those same issues for software reuse. We show that languages can facilitate reusability by being modular, human-readable, hybrid (i.e., supporting multiple formalisms), open, declarative, and by supporting the graphical representation of models. Modelers should not only use such a language, but be aware of the features that make it desirable and know how to apply them effectively. For this reason, we compare existing suitable languages in detail and demonstrate their benefits for a modular model of the human cardiac conduction system written in Modelica.

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              ChEBI in 2016: Improved services and an expanding collection of metabolites

              ChEBI is a database and ontology containing information about chemical entities of biological interest. It currently includes over 46 000 entries, each of which is classified within the ontology and assigned multiple annotations including (where relevant) a chemical structure, database cross-references, synonyms and literature citations. All content is freely available and can be accessed online at http://www.ebi.ac.uk/chebi. In this update paper, we describe recent improvements and additions to the ChEBI offering. We have substantially extended our collection of endogenous metabolites for several organisms including human, mouse, Escherichia coli and yeast. Our front-end has also been reworked and updated, improving the user experience, removing our dependency on Java applets in favour of embedded JavaScript components and moving from a monthly release update to a ‘live’ website. Programmatic access has been improved by the introduction of a library, libChEBI, in Java, Python and Matlab. Furthermore, we have added two new tools, namely an analysis tool, BiNChE, and a query tool for the ontology, OntoQuery.
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                Author and article information

                Contributors
                christopher.schoelzel@mni.thm.de
                Journal
                NPJ Syst Biol Appl
                NPJ Syst Biol Appl
                NPJ Systems Biology and Applications
                Nature Publishing Group UK (London )
                2056-7189
                3 June 2021
                3 June 2021
                2021
                : 7
                : 27
                Affiliations
                [1 ]GRID grid.440967.8, ISNI 0000 0001 0229 8793, Technische Hochschule Mittelhessen – University of Applied Sciences, ; Giessen, Germany
                [2 ]GRID grid.459157.b, ISNI 0000 0004 0389 7802, Vestre Viken Hospital Trust, ; Kongsberg, Norway
                [3 ]GRID grid.5510.1, ISNI 0000 0004 1936 8921, University of Oslo, ; Oslo, Norway
                Author information
                http://orcid.org/0000-0001-8627-0594
                http://orcid.org/0000-0002-9368-0812
                Article
                182
                10.1038/s41540-021-00182-w
                8175692
                34083542
                3785ddaf-71a8-4631-ae29-c8bef5f16cab
                © The Author(s) 2021

                Open Access This article is licensed under a Creative Commons Attribution 4.0 International License, which permits use, sharing, adaptation, distribution and reproduction in any medium or format, as long as you give appropriate credit to the original author(s) and the source, provide a link to the Creative Commons license, and indicate if changes were made. The images or other third party material in this article are included in the article’s Creative Commons license, unless indicated otherwise in a credit line to the material. If material is not included in the article’s Creative Commons license and your intended use is not permitted by statutory regulation or exceeds the permitted use, you will need to obtain permission directly from the copyright holder. To view a copy of this license, visit http://creativecommons.org/licenses/by/4.0/.

                History
                : 18 October 2019
                : 19 April 2021
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                © The Author(s) 2021

                computer modelling,cardiology,programming language
                computer modelling, cardiology, programming language

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