@book{8fce74c42994430a95085a0d66b01e75,
title = "Network generation and analysis of complex biomass conversion systems",
abstract = "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.",
keywords = "Biomass conversion, Cheminformatics, Domain specific language, Network generation, Pathways analysis",
author = "Srinivas Rangarajan and Ted Kaminski and Wyk, {Eric Van} and Aditya Bhan and Prodromos Daoutidis",
year = "2011",
doi = "10.1016/B978-0-444-54298-4.50127-6",
language = "English (US)",
volume = "29",
series = "Computer Aided Chemical Engineering",
publisher = "Unknown Publisher",
}