Automated QuantMap for rapid quantitative molecular network topology analysis.
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ABSTRACT: Summary
The previously disclosed QuantMap method for grouping chemicals by biological activity used online services for much of the data gathering and some of the numerical analysis. The present work attempts to streamline this process by using local copies of the databases and in-house analysis. Using computational methods similar or identical to those used in the previous work, a qualitatively equivalent result was found in just a few seconds on the same dataset (collection of 18 drugs). We use the user-friendly Galaxy framework to enable users to analyze their own datasets. Hopefully, this will make the QuantMap method more practical and accessible and help achieve its goals to provide substantial assistance to drug repositioning, pharmacology evaluation and toxicology risk assessment.Availability
http://galaxy.predpharmtox.orgContact
mats.gustafsson@medsci.uu.se or ola.spjuth@farmbio.uu.seSupplementary information
Supplementary data are available at Bioinformatics online.
SUBMITTER: Schaal W
PROVIDER: S-EPMC3753568 | biostudies-literature | 2013 Sep
REPOSITORIES: biostudies-literature
Publications
Automated QuantMap for rapid quantitative molecular network topology analysis.
Schaal Wesley W Hammerling Ulf U Gustafsson Mats G MG Spjuth Ola O
Bioinformatics (Oxford, England) 20130704 18
<h4>Summary</h4>The previously disclosed QuantMap method for grouping chemicals by biological activity used online services for much of the data gathering and some of the numerical analysis. The present work attempts to streamline this process by using local copies of the databases and in-house analysis. Using computational methods similar or identical to those used in the previous work, a qualitatively equivalent result was found in just a few seconds on the same dataset (collection of 18 drugs ...[more]
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