Network generation and analysis of complex biomass conversion systems

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Network generation and analysis of complex biomass conversion systems

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A modular computational tool for automated generation and rule-based post-processing of reaction systems in biomass conversion is presented. Cheminformatics and graph theory algorithms are used to generate chemical transformations pertaining to heterogeneous and homogeneous chemistries in the automated rule-based network generator. A domain-specific language provides a user-friendly English-like chemistry specification interface to the network generator. A rule-based pathway analysis module enables the user to extract and query pathways from the reaction network. A demonstration of the features of this tool is presented using Fructose to 5- Hydroxymethylfurfural as a case study.



Associated research group: Minnesota Extensible Language Tools

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21st European Symposium on Computer Aided Process Engineering (ESCAPE 21)

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Rangarajan, Srinivas; Kaminski, Ted; Van Wyk, Eric; Bhan, Aditya; Daoutidis, Prodromos. (2011). Network generation and analysis of complex biomass conversion systems. Retrieved from the University Digital Conservancy,

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