TrackSM: Metabolic pathway prediction based on molecular structure matching


Metabolic pathways are composed of a series of chemical reactions occurring within a cell. In each pathway, enzymes catalyze the conversion of substrates into structurally similar products. Thus, structural similarity provides a potential means for mapping newly identified biochemical compounds to known metabolic pathways. TrackSM is a cheminformatics tool designed to associate a chemical compound to known metabolic pathways based on molecular structure matching techniques.

TrackSM distribution

TrackSM is written in Java and can be run on any platform with a Java virtual machine. Execution scripts for Windows and Linux are bundled along with the Java archive in the zip file below.

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Acknowledgment and Disclaimer

This material is based upon work supported in part by Grant 1R01GM087714 from NIH, Grant No. IIS-0916948 from NSF, the Agriculture and Food Research Initiative Competitive Grant No. 2011-67016-30331 from the USDA National Institute of Food and Agriculture, and the Booth Engineering Center for Advance Technology (BECAT) at the University of Connecticut. Any opinions, findings, and conclusions or recommendations expressed in this material are those of the author(s) and do not necessarily reflect the views of the funding agencies.