QSAR Study for Carcinogenic Potency of Aromatic Amines Based on GEP and MLPs
AbstractA 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
Scifeed alert for new publicationsNever miss any articles matching your research from any publisher
- Get alerts for new papers matching your research
- Find out the new papers from selected authors
- Updated daily for 49'000+ journals and 6000+ publishers
- Define your Scifeed now
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.
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. International Journal of Environmental Research and Public Health. 2016; 13(11):1141.Chicago/Turabian Style
Song, Fucheng; Zhang, Anling; Liang, Hui; Cui, Lianhua; Li, Wenlian; Si, Hongzong; Duan, Yunbo; Zhai, Honglin. 2016. "QSAR Study for Carcinogenic Potency of Aromatic Amines Based on GEP and MLPs." Int. J. Environ. Res. Public Health 13, no. 11: 1141.
Note that from the first issue of 2016, MDPI journals use article numbers instead of page numbers. See further details here.