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HomeApplied Mechanics and MaterialsApplied Mechanics and Materials Vols. 713-715Research on Neural Network Theory of the Toxicity...

Research on Neural Network Theory of the Toxicity of Aromatic Hydrocarbons on Chlorella vulgaris

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Abstract:

Using BP neural network method, we calculate and analyze the molecular structure of aromatic hydrocarbons. Then, we get the electrotopological state indices and the molecular electronegativity distance vectors of 25 aromatic hydrocarbons based on the calculation of molecular structure characteristics and adjacency matrix. By regression, we get and optimize the structural parameters E₉, E₁₃, E₁₇ and M₁₅. The four structural parameters are used as the input variables and a 4-2-1 network structure is employed to construct a BP artificial neural network model for predicting acute toxicity pEC₅₀. The total correlation coefficient R is 0.994 and the average error between the predicted value and experimental value of pEC₅₀ is 0.079, which indicate that the ANN model has good stability and superior predictive ability. The results show that there is a good nonlinear correlation between acute toxicity pEC₅₀ and the four structural parameters. The results of our research reveal that the toxicity of aromatic hydrocarbons is closely affected by electrotopological state indices and the molecular electronegativity distance vectors. Therefore, it will be helpful in assessing the hazard of aromatic hydrocarbons to environment.

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Periodical:

Applied Mechanics and Materials (Volumes 713-715)

Pages:

2834-2838

DOI:

https://doi.org/10.4028/www.scientific.net/AMM.713-715.2834

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Online since:

January 2015

Authors:

Xi Hua Du*, Jing Li, Jun Zhou, Yong Cai Zhang

Keywords:

Acute Toxicity, Aromatic Hydrocarbons, Chlorella Vulgaris, Electrotopological State Index, Molecular Electronegativity Distance Vector, Neural Network

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© 2015 Trans Tech Publications Ltd. All Rights Reserved

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* - Corresponding Author

[1] X. Li, T. Zhang, X.M. Min and P. Liu: Aquat. Toxicol. Vol. 98(2010), 322-327.

[2] D.M. Liu, Z.H. Liu and Y.Y. Li: Energy Proc. Vol. 5(2011), 734-741.

[3] F.J. Prado-Prado, I. García, X. García-Mera and H. González-Díaz: Chemometr. Intell. Lab. Vol. 107(2011), 227-233.

[4] S. Iban, H.R.U. Rubén and B. Carlos: Food Chem. Vol. 136(2013), 1370-1376.

[5] C.J. Feng: J. Huazhong Univ. Sci. Technol. Vol. 38(2010), 108-111(In Chinese).

[6] G.Y. He, L.L. Feng and H.Q. Chen: Proc. Eng. Vol. 43(2012), 204-209.

[7] W.M.M. Mahmoud, A.P. Toolaram, J. Menz, C. Leder, M. Schneider and K. Kümmerer: Water Res. Vol. 49 (2014), 11-22.

[8] B. Wang, G. Yu, Z.L. Zhang, H.Y. Hu and L.S. Wang: J. Tsinghua Univ. Vol. 47(2007), 369-376(In Chinese).

[9] H. Qin, J.W. Chen, Y. Wang, B. Wang, X.H. Li, W. Li and Y.N. Wang: Chinese Sci. Bull. Vol. 54(2009), 27-32(In Chinese).

[10] L.S. Wang and S.K. Han: Progress in organic pollution chemistry, Chemical Industry Press, Beijing, 1998, 15-183(In Chinese).

[11] L. Xu and Y.P. Wu: Comput. Appl. Chem. Vol. 17(2000), 15-17(In Chinese).

[12] B. Wang, G. Yu, J. Huang and H.Y. Hu: Prog. Chem. Vol. 19(2007), 1612-1619(In Chinese).

[13] C.H. Wang, S.L. Yang, Y. Wu, H.X. Yu and L.S. Wang: Comput. Appl. Chem. Vol. 29(2012), 297- 300(In Chinese).

[14] P. Oleszczuk: Sci. Total Environ. Vol. 404(2008), 94-102.

[15] C.M. Geng, J.H. Chen, X.Y. Yang, L.H. Ren, B.H. Yin, X.Y. Liu and Z.P. Bai: J. Environ. Sci. Vol. 26(2014), 160-166.

[16] L.C. Guo, L.J. Bao, J.W. She and E.Y. Zeng: Atmos. Environ. Vol. 83(2014), 136-144.

[17] L.R. Vieira and L. Guilhermino: J. Sea Res. Vol. 72(2012), 94-98.

[18] F. Li, H.F. Wu, L.Z. Li, X.H. Li, J.M. Zhao and W.J.G.M. Peijnenburg: Ecotox. Environ. Safe. Vol. 80(2012), 273-279.

[19] B. Ma, H.H. Chen, M.M. Xu, T. Hayat, Y. He and J.M. Xu: Environ. Pollut. Vol. 158(2010), 2773-2777.

[20] S.L. Yang, Y. Wu, H.X. Yu, L.S. Wang and C.H. Wang: Acta Scien. Circum. Vol. 32(2012), 1487-1496(In Chinese).

[21] W.W. Qu, L.P. Shang, X.X. Li and J. Liu: Spectrosc. Spect. Anal. Vol. 30(2010), 2780-2783(In Chinese).

[22] X.H. Du: J. Chem. Ind. Eng. Vol. 61(2010), 3059-3066(In Chinese).

[23] X.H. Du: J. Harbin Inst. Technol. Vol. 41(2009), 241-245(In Chinese).

[24] X.H. Du, Y. Chen and J.R. Wei: J. Wuhan Univ. Vol. 59(2013), 66-70(In Chinese).

[25] Q.N. Hu, Y.Z. Liang, Y.L. Wang, F.Q. Guo and L.F. Huang: Comput. Appl. Chem. Vol. 20(2003), 386-390(In Chinese).

[26] L.H. Hall and L.B. Kier: J. Chem. Inf. Model. Vol. 35(1995), 1039-1045.

[27] S.S. Liu, Y. Liu, Z.L. Li and S.Z. Cai: Acta Chim. Sinica Vol. 58(2000), 1353-1357(In Chinese).

[28] L. Saiz-urra, M.P. Gonzalez and M. Teijeira: Bioorg. Med. Chem. Vol. 15(2007), 3565-3571.