CART-a chemical annotation retrieval toolkit

被引：6

作者：

Deghou, Samy ^{[1
]}

Zeller, Georg ^{[1
]}

Iskar, Murat ^{[1
]}

Driessen, Marja ^{[1
]}

Castillo, Mercedes ^{[1
]}

van Noort, Vera ^{[1
,2
]}

Bork, Peer ^{[1
,3
,4
,5
,6
]}

机构：

[1] European Mol Biol Lab, Struct & Computat Biol Unit, Heidelberg, Germany

[2] Katholieke Univ Leuven, Ctr Microbial & Plant Genet, Leuven, Belgium

[3] Heidelberg Univ, Mol Med Partnership Unit, Heidelberg, Germany

[4] European Mol Biol Lab, Heidelberg, Germany

[5] Max Delbruck Ctr Mol Med, Berlin, Germany

[6] Univ Wurzburg, Bioctr, Dept Bioinformat, Wurzburg, Germany

来源：

BIOINFORMATICS | 2016年 / 32卷 / 18期

关键词：

D O I：

10.1093/bioinformatics/btw233

中图分类号：

Q5 [生物化学];

学科分类号：

071010 ; 081704 ;

摘要：

Motivation: Data on bioactivities of drug-like chemicals are rapidly accumulating in public repositories, creating new opportunities for research in computational systems pharmacology. However, integrative analysis of these data sets is difficult due to prevailing ambiguity between chemical names and identifiers and a lack of cross-references between databases. Results: To address this challenge, we have developed CART, a Chemical Annotation Retrieval Toolkit. As a key functionality, it matches an input list of chemical names into a comprehensive reference space to assign unambiguous chemical identifiers. In this unified space, bioactivity annotations can be easily retrieved from databases covering a wide variety of chemical effects on biological systems. Subsequently, CART can determine annotations enriched in the input set of chemicals and display these in tabular format and interactive network visualizations, thereby facilitating integrative analysis of chemical bioactivity data.

引用

页码：2869 / 2871

页数：3

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