Next Article in Journal
Care-Seeking for Diarrhoea in Southern Malawi: Attitudes, Practices and Implications for Diarrhoea Control
Previous Article in Journal
Behavioral Response in the Immediate Aftermath of Shaking: Earthquakes in Christchurch and Wellington, New Zealand, and Hitachi, Japan
Article Menu

Export Article

Open AccessArticle
Int. J. Environ. Res. Public Health 2016, 13(11), 1141;

QSAR Study for Carcinogenic Potency of Aromatic Amines Based on GEP and MLPs

Department of Public Health, Qingdao University Medical College, Qingdao 266071, China
Modern Educational Technology Center, Qingdao University, Qingdao 266071, China
Institute for Computational Science and Engineering, Laboratory of New Fibrous Materials and Modern Textile, The Growing Base for State Key Laboratory, Qingdao University, Ningxia Road 308, Qingdao 266071, China
Department of Chemistry, Lanzhou University, Lanzhou 730000, China
Author to whom correspondence should be addressed.
Academic Editor: William Chi-shing Cho
Received: 7 September 2016 / Revised: 21 October 2016 / Accepted: 24 October 2016 / Published: 15 November 2016
Full-Text   |   PDF [1568 KB, uploaded 15 November 2016]   |  


A new analysis strategy was used to classify the carcinogenicity of aromatic amines. The physical-chemical parameters are closely related to the carcinogenicity of compounds. Quantitative structure activity relationship (QSAR) is a method of predicting the carcinogenicity of aromatic amine, which can reveal the relationship between carcinogenicity and physical-chemical parameters. This study accessed gene expression programming by APS software, the multilayer perceptrons by Weka software to predict the carcinogenicity of aromatic amines, respectively. All these methods relied on molecular descriptors calculated by CODESSA software and eight molecular descriptors were selected to build function equations. As a remarkable result, the accuracy of gene expression programming in training and test sets are 0.92 and 0.82, the accuracy of multilayer perceptrons in training and test sets are 0.84 and 0.74 respectively. The precision of the gene expression programming is obviously superior to multilayer perceptrons both in training set and test set. The QSAR application in the identification of carcinogenic compounds is a high efficiency method. View Full-Text
Keywords: QSAR; aromatic amines; gene expression programming; multilayer perceptrons QSAR; aromatic amines; gene expression programming; multilayer perceptrons

Figure 1

This is an open access article distributed under the Creative Commons Attribution License which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited (CC BY 4.0).

Share & Cite This Article

MDPI and ACS Style

Song, F.; Zhang, A.; Liang, H.; Cui, L.; Li, W.; Si, H.; Duan, Y.; Zhai, H. QSAR Study for Carcinogenic Potency of Aromatic Amines Based on GEP and MLPs. Int. J. Environ. Res. Public Health 2016, 13, 1141.

Show more citation formats Show less citations formats

Note that from the first issue of 2016, MDPI journals use article numbers instead of page numbers. See further details here.

Related Articles

Article Metrics

Article Access Statistics



[Return to top]
Int. J. Environ. Res. Public Health EISSN 1660-4601 Published by MDPI AG, Basel, Switzerland RSS E-Mail Table of Contents Alert
Back to Top