Network generation and analysis of complex biomass conversion systems

Srinivas Rangarajan, Ted Kaminski, Eric Van Wyk, Aditya Bhan, Prodromos Daoutidis

Research output: Book/ReportBook

1 Scopus citations


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.

Original languageEnglish (US)
PublisherUnknown Publisher
Number of pages5
StatePublished - 2011

Publication series

NameComputer Aided Chemical Engineering
ISSN (Print)15707946


  • Biomass conversion
  • Cheminformatics
  • Domain specific language
  • Network generation
  • Pathways analysis


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