US Patent:
20070212719, Sep 13, 2007
Inventors:
William Hlavacek - Santa Fe NM, US
James Faeder - Santa Fe NM, US
Michael Blinov - Avon CT, US
Assignee:
LOS ALAMOS NATIONAL SECURITY - Los Alamos NM
International Classification:
C12Q 1/68
G06F 19/00
Abstract:
Formalized graphical reaction rules and conventions accounting for chemical states and binding or reaction states are provided for modeling complex biological systems such as signal transduction pathways. A system model is derived by defining typed attributed graphs which delimit molecular entities and their possible states. Graph transformation rules defining a class of potential reactions are defined and applied to the graphs and all new graphs that subsequently arise as a result of graph transformation. In one embodiment, a model is generated through the use of graph-rewriting rules which are associated with rate laws and applied iteratively to a seed set of chemical species graphs until a termination condition occurs.