Abstract

Computational models can help researchers to interpret data, understand biological functions, and make quantitative predictions. The Systems Biology Markup Language (SBML) is a file format for representing computational models in a declarative form that different software systems can exchange. SBML is oriented towards describing biological processes of the sort common in research on a number of topics, including metabolic pathways, cell signaling pathways, and many others. By supporting SBML as an input/output format, different tools can all operate on an identical representation of a model, removing opportunities for translation errors and assuring a common starting point for analyses and simulations. This document provides the specification for Release 2 of Version 1 of SBML Level 3 Core. The specification defines the data structures prescribed by SBML, their encoding in XML (the eXtensible Markup Language), validation rules that determine the validity of an SBML document, and examples of models in SBML form. No design changes have been made to the description of models between Release 1 and Release 2; changes are restricted to the format of annotations, the correction of errata and the addition of clarifications. Other materials and software are available from the SBML project website at http://sbml.org/.

Highlights

  • This document defines Version 1 of the Systems Biology Markup Language (SBML) Level 3 Core, an electronic model representation format for systems biology

  • SBML borrows an idea from CellML (Hedley et al, 2001), another model definition language with goals similar to SBML’s, and allows an additional attribute to appear on MathML cn elements; the value of this attribute can be used to indicate the unit of measurement to be associated with the number in the content of the cn element

  • A model must be interpretable without the benefit of Systems Biology Ontology (SBO) labels

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Summary

Introduction

This document defines Version 1 of the Systems Biology Markup Language (SBML) Level 3 Core, an electronic model representation format for systems biology. A low-volume, broadcast-only web forum/mailing list is available where notifications of revisions to the SBML specification, notices of votes on SBML technical issues, and other critical matters are announced This list is https://groups.google.com/d/forum/sbml-announce and anyone may subscribe to it freely. Borrowing concepts from the World Wide Web. Consortium (Jacobs, 2004), we define SBML errata as changes of the following types: (a) formatting changes that do not result in changes to textual content; (b) corrections that do not affect conformance of software implementing support for a given combination of SBML level and version; and (c) corrections that may affect such software conformance, but add no new language features. Announcements of errata, updates to the SBML specification and other major changes are made on the https://groups.google.com/d/forum/sbml-announce web forum and mailing list

SBML Level 3 Packages
Color conventions
Typographical conventions for names
UML notation
Part C: double
Primitive data types
Type string
Type boolean
Type int
Type positiveInteger
Type double
Type ID
Type SId
Type SIdRef
Type UnitSId
3.1.10 Type UnitSIdRef
3.1.11 Type SBOTerm
Type SBase
The metaid attribute
The sboTerm attribute
Annotation
The id and name attributes on SBML components
The id attribute and identifier scoping
The name attribute
Why id and name are not defined on SBase
Mathematical formulas in SBML Level 3
Subset of MathML used in SBML Level 3 Core
Numbers and cn elements
Use of ci elements in MathML expressions in SBML
Interpretation of boolean values
Handling of whitespace
Use of csymbol elements in MathML expressions in SBML
Simulation time
Initial conditions and special considerations
Underdetermined models
3.4.10 Use and interpretation of the ’constant’ attribute
3.4.11 MathML expression data types
3.4.13 SBML does not define implicit unit conversions
The SBML container
The model element
Package declarations
The substanceUnits attribute
The timeUnits attribute
The extentUnits attribute
The conversionFactor attribute
The ListOf container classes
Function definitions
The id and name attributes
The math element
Calling user-defined functions
Examples
Unit definitions
UnitDefinition
Use of units in a model
Compartments
The spatialDimensions attribute
The size attribute
The units attribute
The constant attribute
Species
The compartment attribute
The hasOnlySubstanceUnits attribute
The constant and boundaryCondition attributes
Additional considerations for interpreting the numerical value of a species
Parameters
The value attribute
Initial assignments
The symbol attribute
Semantics of initial assignments
Example
Common attributes in Rule
AlgebraicRule
AssignmentRule
RateRule
Additional restrictions on rules
Example of rule use
4.10 Constraints
4.10.1 The math element
4.10.2 Message
4.10.3 Semantics of constraints
4.11 Reactions
4.11.1 Reaction
4.11.2 SimpleSpeciesReference
4.11.3 SpeciesReference
4.11.4 ModifierSpeciesReference
4.11.5 KineticLaw
4.11.6 LocalParameter
4.11.7 Mathematical interpretation of SBML reactions and kinetic laws
4.11.8 Use of reaction identifiers in mathematical expressions
4.12 Events
4.12.2 Trigger
4.12.3 Priority
Evaluation of Priority expressions
4.12.5 EventAssignment
4.12.7 Detailed semantics of events
Principles
Using SBO and sboTerm
The structure of the Systems Biology Ontology
Tradeoffs in using SBO terms
Relationships between individual SBML components and SBO terms
Relationships to the SBML annotation element
Frequency of change in the ontology
Consistency of information
Implications for network access
Motivation
XML namespaces in the standard annotation
General syntax for the standard annotation
Use of URIs
Relation elements
History
A simple example application of SBML
A simple example using the conversionFactor attribute
An alternative formulation of the conversionFactor example
Example involving assignment rules
Example involving algebraic rules
Example of translation from a multi-compartmental model to ODEs
7.10 Example involving delay functions
7.11 Example involving events
7.12 Example involving two-dimensional compartments
7.13 Example of a reaction located at a membrane
7.14 Example using an event with a non-persistent trigger and a delay
Recommended practices concerning common SBML attributes and objects
Identifiers and names
Initial Values
The constant flag
Annotations
Recommended practices concerning specific SBML components
Reactions
Events
A Validation and consistency rules for SBML
B A method for assessing whether an SBML model is overdetermined
Full Text
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