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SAR and QSAR in Environmental Research Volume 11, 2000 - Issue 2
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Original Articles

A Study of Structure-Carcinogenicity Relationship for 86 Compounds from NTP Data Base Using Topological Indices as Descriptors

M. Vračko National Institute of Chemistry, Hajdrihova 19, 1001, Ljubljana, POB 3430, Slovenia
Pages 103-115 | Received 23 Sep 1999, Accepted 06 Nov 1999, Published online: 05 Oct 2006

Citations (8)

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M. Vračko, V. Bandelj, P. Barbieri, E. Benfenati, Q. Chaudhry, M. Cronin, J. Devillers, A. Gallegos, G. Gini, P. Gramatica, C. Helma, P. Mazzatorta, D. Neagu, T. Netzeva, M. Pavan, G. Patlewicz, M. Randić, I. Tsakovska & A. Worth. (2006) Validation of counter propagation neural network models for predictive toxicology according to the OECD principles: a case study. SAR and QSAR in Environmental Research 17:3, pages 265-284.
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D.B. Wei, A.Q. Zhang, S.K. Han & L.S. Wang. (2001) Joint QSAR Analysis Using the Free-Wilson Approach and Quantum Chemical Parameters. SAR and QSAR in Environmental Research 12:5, pages 471-479.
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Articles from other publishers (6)

Marjan Vračko & Jure Zupan. (2015) A non-standard view on artificial neural networks. Chemometrics and Intelligent Laboratory Systems 149, pages 140-152.
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Kazutoshi Tanabe, Bono Lučić, Dragan Amić, Takio Kurita, Mikio Kaihara, Natsuo Onodera & Takahiro Suzuki. (2010) Prediction of carcinogenicity for diverse chemicals based on substructure grouping and SVM modeling. Molecular Diversity 14:4, pages 789-802.
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Filip Fratev & Emilio Benfenati. (2008) A combination of 3D-QSAR, docking, local-binding energy (LBE) and GRID study of the species differences in the carcinogenicity of benzene derivatives chemicals. Journal of Molecular Graphics and Modelling 27:2, pages 147-160.
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W. Bradford Davis & Ray Hefferlin. (2006) An Atlas of Forecasted Molecular Data. 2. Vibration Frequencies of Main-Group and Transition-Metal Neutral Gas-Phase Diatomic Molecules in the Ground State. Journal of Chemical Information and Modeling 46:2, pages 820-825.
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Marjan Vracko, Denise Mills & Subhash C. Basak. (2004) Structure-mutagenicity modelling using counter propagation neural networks. Environmental Toxicology and Pharmacology 16:1-2, pages 25-36.
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Marjana Novic & Marjan Vracko. 2003. Nature-insprired Methods in Chemometrics: Genetic Algorithms and Artificial Neural Networks. Nature-insprired Methods in Chemometrics: Genetic Algorithms and Artificial Neural Networks 231 256 .

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