Document Details

Document Type : Article In Journal 
Document Title :
iATC-mISF: a multi-label classifier for predicting the classes of anatomical therapeutic chemicals. Bioinformatics
iATC-mISF: a multi-label classifier for predicting the classes of anatomical therapeutic chemicals. Bioinformatics
 
Document Language : English 
Abstract : Motivation: Given a compound, can we predict which anatomical therapeutic chemical (ATC) class/classes it belongs to? It is a challenging problem since the information thus obtained can be used to deduce its possible active ingredients, as well as its therapeutic, pharmacological and chemical properties. And hence the pace of drug development could be substantially expedited. But this problem is by no means an easy one. Particularly, some drugs or compounds may belong to two or more ATC classes. Results: To address it, a multi-label classifier, called iATC-mISF, was developed by incorporating the information of chemical–chemical interaction, the information of the structural similarity, and the information of the fingerprintal similarity. Rigorous cross-validations showed that the proposed predictor achieved remarkably higher prediction quality than its cohorts for the same purpose, particularly in the absolute true rate, the most important and harsh metrics for the multi-label systems. Availability and Implementation: The web-server for iATC-mISF is accessible at http://www.jci-bioinfo.cn/iATC-mISF. Furthermore, to maximize the convenience for most experimental scientists, a step-by-step guide was provided, by which users can easily get their desired results without needing to go through the complicated mathematical equations. Their inclusion in this article is just for the integrity of the new method and stimulating more powerful methods to deal with various multi-label systems in biology. 
ISSN : 1367-4803 
Journal Name : Bioinformatics 
Volume : 33 
Issue Number : 3 
Publishing Year : 1437 AH
2016 AD
 
Article Type : Article 
Added Date : Monday, July 17, 2017 

Researchers

Researcher Name (Arabic)Researcher Name (English)Researcher TypeDr GradeEmail
Cheng XiangXiang, Cheng ResearcherDoctorate 
Zhao Shu-GuangShu-Guang, Zhao ResearcherDoctorate 
Xiao XuanXuan, Xiao ResearcherDoctorate 
Chou Kuo-ChenKuo-Chen, Chou ResearcherDoctorate 

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