Issue 9, 2015

A computational method for the identification of new candidate carcinogenic and non-carcinogenic chemicals

Abstract

Cancer is one of the leading causes of human death. Based on current knowledge, one of the causes of cancer is exposure to toxic chemical compounds, including radioactive compounds, dioxin, and arsenic. The identification of new carcinogenic chemicals may warn us of potential danger and help to identify new ways to prevent cancer. In this study, a computational method was proposed to identify potential carcinogenic chemicals, as well as non-carcinogenic chemicals. According to the current validated carcinogenic and non-carcinogenic chemicals from the CPDB (Carcinogenic Potency Database), the candidate chemicals were searched in a weighted chemical network constructed according to chemical–chemical interactions. Then, the obtained candidate chemicals were further selected by a randomization test and information on chemical interactions and structures. The analyses identified several candidate carcinogenic chemicals, while those candidates identified as non-carcinogenic were supported by a literature search. In addition, several candidate carcinogenic/non-carcinogenic chemicals exhibit structural dissimilarity with validated carcinogenic/non-carcinogenic chemicals.

Graphical abstract: A computational method for the identification of new candidate carcinogenic and non-carcinogenic chemicals

Supplementary files

Article information

Article type
Paper
Submitted
20 Apr 2015
Accepted
13 Jul 2015
First published
13 Jul 2015

Mol. BioSyst., 2015,11, 2541-2550

A computational method for the identification of new candidate carcinogenic and non-carcinogenic chemicals

L. Chen, C. Chu, J. Lu, X. Kong, T. Huang and Y. Cai, Mol. BioSyst., 2015, 11, 2541 DOI: 10.1039/C5MB00276A

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