A study on prediction of the bio-toxicity of substituted benzene based on artificial neural network

Journal of Environmental Science and Health - Part B Pesticides, Food Contaminants, and Agricultural Wastes

Volumn 38, Issue 5, 2003, Pages 571-579

  Gao, Da Wen ^a,b   Wang, Peng ^a   Liang, Hong ^b   Peng, Yong Zhen ^c  

^a HARBIN INSTITUTE OF TECHNOLOGY   (China)

^b NORTHEAST FORESTRY UNIVERSITY   (China)

^c BEIJING UNIVERSITY OF TECHNOLOGY   (China)

Author keywords

Autocorrelation descriptor; Bio toxicity; Quantitative structure activity relationship; Substituted benzene; Yeast Saccharomyces cerevisiae

Indexed keywords

COMPUTER SOFTWARE; LINEAR EQUATIONS; NEURAL NETWORKS; TOXICITY; YEAST;

BIOTOXICITY;

BENZENE;

BENZENE;

BENZENE;

ARTICLE; CALCULATION; CORRELATION ANALYSIS; ECOTOXICITY; LC 50; NERVE CELL NETWORK; NONHUMAN; PREDICTION; QUANTITATIVE ANALYSIS; SACCHAROMYCES CEREVISIAE; SCIENTIFIC LITERATURE; STRUCTURE ACTIVITY RELATION;

BENZENE; BENZENE DERIVATIVES; BIOLOGICAL ASSAY; LETHAL DOSE 50; NEURAL NETWORKS (COMPUTER); PREDICTIVE VALUE OF TESTS; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP; SACCHAROMYCES CEREVISIAE; SENSITIVITY AND SPECIFICITY; STRUCTURE-ACTIVITY RELATIONSHIP;

SACCHAROMYCES CEREVISIAE;

EID: 0041568545     PISSN: 03601234     EISSN: None     Source Type: Journal    
DOI: 10.1081/PFC-120023515     Document Type: Article

References (8)

1. Xu, J.B.; Jing, T.S.; Pauli, W.; Berger, S. Quantitative structure-activity relationships for the toxicity of nitrobenzenes to tetrahymena thermophila. J. Environ. Sci. Health 2002, A37, 563-571.
2. Cronin, M.T.D.; Aptula, A.O.; Duffy, J.C.; Netzeva, T.I.; Rowe, P.H.; Valkova, I.V.; Schultz, W.T. Comparative assessment of methods to develop QSARs for the prediction of the toxicity of phenols to tetrahymena pyriformis. Chemosphere 2002, 49, 1201-1221.
3. Wang, P.; Su, J.C.; Chen, C.Y. Quantitative structure-activity relationship of organic chemicals using autocorrelation descriptors. China Environ. Sci. 1998, 18, 306-309.
4. Gao, D.W.; Wang, P.; Guo, X.Y. Flow of information through artificial neural network of chlorophennol QSAR model. J. Harbin Inst. Technol. (Hagongda Xuebao) 2001, 33, 20-25.
5. Gao, D.W.; Wang, P.; Yang, L.; Peng, Y.Z.; Liang, H. Study on the screening of molecular structure parameter in QSAR model. J. Environ. Sci. Health 2002, A37, 601-609.
6. Liao, Y.Y.; Zhou, D.; Liu, Z.T.; Han, S.K.; Wang, L.S. A QSARs study on the toxicity of substituted benzenet yeast Saccharomyces cerevisiae. Acta Scientiae Circumstantiae (Huanjing Kexue Xuebao) 1996, 16, 349-355.
7. Wang, G.L.; Bai, N.B. QSAR models for chlorophenol. Acta Scientiae Circumstantiae (Huanjing Kexue Xuebao) 1996, 16, 190-193.
8. Abernethy, S.G.; Mackey, D.; McCarty, L.S. Volume fraction correlation for narcosis in aquatic organisms: the key role of portioning. Environ. Toxicol. Chem. 1989, 8, 783-786.