Automated QuantMap for rapid quantitative molecular network topology analysis | Zendy

Wesley Schaal | Zendy; Ulf Hammerling | Zendy; Mats G. Gustafsson | Zendy; Ola Spjuth | Zendy

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Automated QuantMap for rapid quantitative molecular network topology analysis

Author(s) -

Wesley Schaal,

Ulf Hammerling,

Mats G. Gustafsson,

Ola Spjuth

Publication year - 2013

Publication title -

bioinformatics

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 3.599

H-Index - 390

eISSN - 1367-4811

pISSN - 1367-4803

DOI - 10.1093/bioinformatics/btt390

Subject(s) - computer science , process (computing) , work (physics) , data mining , network analysis , data collection , data science , information retrieval , engineering , mathematics , mechanical engineering , operating system , statistics , electrical engineering

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.

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