Automated QuantMap for rapid quantitative molecular network topology analysis

被引：8

作者：

Schaal, Wesley ^{[1
]}

Hammerling, Ulf ^{[2
]}

Gustafsson, Mats G. ^{[2
]}

Spjuth, Ola ^{[1
]}

机构：

[1] Uppsala Univ, Dept Pharmaceut Biosci, SE-75124 Uppsala, Sweden

[2] Uppsala Univ, Acad Hosp, Dept Med Sci, SE-75185 Uppsala, Sweden

来源：

BIOINFORMATICS | 2013年 / 29卷 / 18期

基金：

瑞典研究理事会;

关键词：

GALAXY;

D O I：

10.1093/bioinformatics/btt390

中图分类号：

Q5 [生物化学];

学科分类号：

071010 ; 081704 ;

摘要：

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.

引用

页码：2369 / 2370

页数：2

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