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Using Term Lists and Inverted Files to Improve Search Speed for Metabolic Pathway Databases

Greeshma NeglurContact Information, Robert L. GrossmanContact Information, Natalia MaltsevContact Information and Clement YuContact Information

(1)  Laboratory for Advanced Computing, University of Illinois at Chicago, Chicago, IL 60607, USA
(2)  Laboratory for Advanced Computing, University of Illinois at Chicago, Chicago, IL 60607, USA
(3)  Math and Computer Science Division, Argonne National Laboratory, Argonne, IL 60439, USA
(4)  Department of Computer Science, University of Illinois at Chicago, Chicago, IL 60607, USA
Abstract
This paper describes a technique for efficiently searching metabolic pathways similar to a given query pathway, from a pathway database. Metabolic pathways can be converted into labeled directed graphs where the nodes represent chemical compounds. Similarity between two graphs can be computed using a metric based on Maximal Common Subgraph (MCS). By maintaining an inverted file that indexes all pathways in a database on their edges, our algorithm finds and ranks all pathways similar to the user input query pathway in time, which is linear in the total number of occurrences of the edges in common with the query in the entire database.

Contact Information Greeshma Neglur
Email: neglur@lac.uic.edu

Contact Information Robert L. Grossman
Email: grossman@uic.edu

Contact Information Natalia Maltsev
Email: maltsev@mcs.anl.gov

Contact Information Clement Yu
Email: yu@cs.uic.edu
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