Paper Info
Title
Formal concept analysis approach for comparison between Mutagenicity and Carcinogenicity in Cheminformatics
Abstract
Chemical compounds have a biological activity on animal genes; Mutagenicity and Carcinogenicity are examples of this activity. Both activities are similar except that mutagen compounds induce a heritable change in cells, while carcinogen compounds induce an unregulated growth process in cells. The relation between Mutagenicity and Carcinogenicity is not proved quantitatively yet. In this article, the relation between both activities is discovered based on the machine learning methodology. Feature selection techniques are applied to provide a well defined analysis of the highest discriminating descriptors of the mutagenic or carcinogenic compounds. Molecular charge appears to be a discriminating factor for Carcinogenicity, while Mutagenicity is characterized more by the branching and aromaticity/aliphaticity of the compounds. Electronegativity and Lipophilicity appears to be common factors for both activities. Further analysis and visualization are applied based on rough set and formal concept analysis to check the correlation among these descriptors and the ranges required for each descriptor.
Year
DOI
Venue
2013
10.1109/HIS.2013.6920494
Hybrid Intelligent Systems
Keywords
Field
DocType
chemistry computing,data visualisation,formal concept analysis,learning (artificial intelligence),rough set theory,animal genes,biological activity,carcinogen compounds,carcinogenicity,chemical compounds,cheminformatics,compounds aliphaticity,compounds aromaticity,data visualization,electronegativity,formal concept analysis approach,lipophilicity,machine learning methodology,mutagen compounds,mutagenicity,rough set theory,Carcinogenicity,Cheminformatics,Mutagenicity
Biological activity,Chemistry,Carcinogen,Computational biology,Mutagen,Formal concept analysis,Cheminformatics,Branching (version control)
Conference
ISBN
Citations 
PageRank 
978-1-4799-2438-7
0
0.34
References 
Authors
2
3
Name
Order
Citations
PageRank
Mostafa Salama1479.57
ella Hassanien, A.2364.57
Mohamed Adel Alimi31947217.16