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Volumn 119, Issue , 2012, Pages 39-43

CORAL: Models of toxicity of binary mixtures

Author keywords

Binary mixture; CORAL software; QSAR; Toxicity

Indexed keywords

ARTICLE; CALIBRATION; CHEMICAL STRUCTURE; COMPUTER PROGRAM; CONCENTRATION (PARAMETERS); CONTROLLED STUDY; CORRELATION COEFFICIENT; MATHEMATICAL COMPUTING; MONTE CARLO METHOD; NONHUMAN; PHOTOBACTERIUM PHOSPHOREUM; PRIORITY JOURNAL; QUANTITATIVE STRUCTURE ACTIVITY RELATION; STATISTICAL ANALYSIS; STATISTICAL MODEL; TOXICITY TESTING;

EID: 84868458417     PISSN: 01697439     EISSN: 18733239     Source Type: Journal    
DOI: 10.1016/j.chemolab.2012.10.001     Document Type: Article
Times cited : (26)

References (32)
  • 1
    • 77957846131 scopus 로고    scopus 로고
    • Chemometric modeling of free radical scavenging activity of flavone derivatives
    • Mitra I., Saha A., Roy K. Chemometric modeling of free radical scavenging activity of flavone derivatives. Europena Journal of Medicinal Chemistry 2010, 45:5071-5079.
    • (2010) Europena Journal of Medicinal Chemistry , vol.45 , pp. 5071-5079
    • Mitra, I.1    Saha, A.2    Roy, K.3
  • 2
    • 77956191329 scopus 로고    scopus 로고
    • Chemometric modeling, docking and in silico design of triazolopyrimidine-based dihydroorotate dehydrogenase inhibitors as antimalarials
    • Ojha P.K., Roy K. Chemometric modeling, docking and in silico design of triazolopyrimidine-based dihydroorotate dehydrogenase inhibitors as antimalarials. Europena Journal of Medicinal Chemistry 2010, 45:4645-4656.
    • (2010) Europena Journal of Medicinal Chemistry , vol.45 , pp. 4645-4656
    • Ojha, P.K.1    Roy, K.2
  • 4
    • 79151478389 scopus 로고    scopus 로고
    • Ligand-based virtual screening procedure for the prediction and the identification of novel β-amyloid aggregation inhibitors using Kohonen maps and Counterpropagation Artificial Neural Networks
    • Afantitis A., Melagraki G., Koutentis P.A., Sarimveis H., Kollias G. Ligand-based virtual screening procedure for the prediction and the identification of novel β-amyloid aggregation inhibitors using Kohonen maps and Counterpropagation Artificial Neural Networks. Europena Journal of Medicinal Chemistry 2011, 46:497-508.
    • (2011) Europena Journal of Medicinal Chemistry , vol.46 , pp. 497-508
    • Afantitis, A.1    Melagraki, G.2    Koutentis, P.A.3    Sarimveis, H.4    Kollias, G.5
  • 9
    • 84861172684 scopus 로고    scopus 로고
    • 2 as an effective tool for validation of QSAR models in computational drug design and predictive toxicology
    • 2 as an effective tool for validation of QSAR models in computational drug design and predictive toxicology. Mini-Review in Medicinal Chemistry 2012, 12:491-504.
    • (2012) Mini-Review in Medicinal Chemistry , vol.12 , pp. 491-504
    • Roy, K.1    Mitra, I.2
  • 11
    • 33846231369 scopus 로고    scopus 로고
    • Computer-based QSARs for predicting mixture toxicity of benzene and its derivatives
    • Zhang L., Zhou P., Yang F., Wang Z. Computer-based QSARs for predicting mixture toxicity of benzene and its derivatives. Chemosphere 2007, 67:396-401.
    • (2007) Chemosphere , vol.67 , pp. 396-401
    • Zhang, L.1    Zhou, P.2    Yang, F.3    Wang, Z.4
  • 13
    • 0142088796 scopus 로고    scopus 로고
    • Mixture toxicity and its modeling by quantitative structure-activity relationships
    • Altenburger R., Nendza M., Schuurmann G. Mixture toxicity and its modeling by quantitative structure-activity relationships. Environmental Toxicology and Chemistry 2003, 22:1900-1915.
    • (2003) Environmental Toxicology and Chemistry , vol.22 , pp. 1900-1915
    • Altenburger, R.1    Nendza, M.2    Schuurmann, G.3
  • 15
    • 79952655871 scopus 로고    scopus 로고
    • Analysis of the co-evolutions of correlations as a tool for QSAR-modeling carcinogenicity: an unexpected good prediction based on a model that seems untrustworthy
    • Toropova A.P., Toropov A.A., Gonella Diaza R., Benfenati E., Gini G. Analysis of the co-evolutions of correlations as a tool for QSAR-modeling carcinogenicity: an unexpected good prediction based on a model that seems untrustworthy. Central European Journal of Chemistry 2011, 9:165-174.
    • (2011) Central European Journal of Chemistry , vol.9 , pp. 165-174
    • Toropova, A.P.1    Toropov, A.A.2    Gonella Diaza, R.3    Benfenati, E.4    Gini, G.5
  • 16
    • 79951960171 scopus 로고    scopus 로고
    • Co-evolutions of correlations for QSAR of toxicity of organometallic and inorganic substances: an unexpected good prediction based on a model that seems untrustworthy
    • Toropova A.P., Toropov A.A., Benfenati E., Gini G. Co-evolutions of correlations for QSAR of toxicity of organometallic and inorganic substances: an unexpected good prediction based on a model that seems untrustworthy. Chemometrics and Intelligent Laboratory Systems 2011, 105:215-219.
    • (2011) Chemometrics and Intelligent Laboratory Systems , vol.105 , pp. 215-219
    • Toropova, A.P.1    Toropov, A.A.2    Benfenati, E.3    Gini, G.4
  • 18
    • 78650173219 scopus 로고    scopus 로고
    • QSAR modelling of the toxicity to Tetrahymena pyriformis by balance of correlations
    • Toropov A.A., Toropova A.P., Benfenati E. QSAR modelling of the toxicity to Tetrahymena pyriformis by balance of correlations. Molecular Diversity 2010, 14:821-827.
    • (2010) Molecular Diversity , vol.14 , pp. 821-827
    • Toropov, A.A.1    Toropova, A.P.2    Benfenati, E.3
  • 19
    • 84868450106 scopus 로고    scopus 로고
    • http://www.insilico.eu/coral.
  • 20
    • 84868501388 scopus 로고    scopus 로고
    • http://www.daylight.com/dayhtml/doc/theory/theory.smiles.html.
  • 22
    • 32244446760 scopus 로고    scopus 로고
    • Comparison of QSPR models based on hydrogen-filled graphs and on graphs of atomic orbitals
    • Toropov A.A., Toropova A.P., Gutman I. Comparison of QSPR models based on hydrogen-filled graphs and on graphs of atomic orbitals. Croatica Chemica Acta 2005, 78:503-509.
    • (2005) Croatica Chemica Acta , vol.78 , pp. 503-509
    • Toropov, A.A.1    Toropova, A.P.2    Gutman, I.3
  • 23
    • 77952957906 scopus 로고    scopus 로고
    • QSAR analysis of 1,4-dihydro-4-oxo-1-(2-thiazolyl)-1,8-naphthyridines exhibiting anticancer activity by optimal SMILES-based descriptors
    • Toropov A.A., Toropova A.P., Benfenati E., Leszczynska D., Leszczynski J. QSAR analysis of 1,4-dihydro-4-oxo-1-(2-thiazolyl)-1,8-naphthyridines exhibiting anticancer activity by optimal SMILES-based descriptors. Journal of Mathematical Chemistry 2010, 47:647-666.
    • (2010) Journal of Mathematical Chemistry , vol.47 , pp. 647-666
    • Toropov, A.A.1    Toropova, A.P.2    Benfenati, E.3    Leszczynska, D.4    Leszczynski, J.5
  • 25
    • 72949097826 scopus 로고    scopus 로고
    • Use of the international chemical identifier for constructing QSPR-model of normal boiling points of acyclic carbonyl substances
    • Toropov A.A., Toropova A.P., Benfenati E., Leszczynska D., Leszczynski J. Use of the international chemical identifier for constructing QSPR-model of normal boiling points of acyclic carbonyl substances. Journal of Mathematical Chemistry 2009, 47:355-369.
    • (2009) Journal of Mathematical Chemistry , vol.47 , pp. 355-369
    • Toropov, A.A.1    Toropova, A.P.2    Benfenati, E.3    Leszczynska, D.4    Leszczynski, J.5
  • 26
    • 43549096626 scopus 로고    scopus 로고
    • Multiplicative SMILES-based optimal descriptors: QSPR modeling of fullerene C60 solubility in organic solvents
    • Toropov A.A., Rasulev B.F., Leszczynska D., Leszczynski J. Multiplicative SMILES-based optimal descriptors: QSPR modeling of fullerene C60 solubility in organic solvents. Chemical Physics Letters 2008, 457:332-336.
    • (2008) Chemical Physics Letters , vol.457 , pp. 332-336
    • Toropov, A.A.1    Rasulev, B.F.2    Leszczynska, D.3    Leszczynski, J.4
  • 29
    • 84868470456 scopus 로고    scopus 로고
    • http://203.200.173.43:8080/rmsquare/.
  • 30
    • 80055096902 scopus 로고    scopus 로고
    • Comparative QSARs for antimalarial endochins: importance of descriptor-thinning and noise reduction prior to feature selection
    • Ojha P.K., Roy K. Comparative QSARs for antimalarial endochins: importance of descriptor-thinning and noise reduction prior to feature selection. Chemometrics and Intelligent Laboratory Systems 2011, 109:146-161.
    • (2011) Chemometrics and Intelligent Laboratory Systems , vol.109 , pp. 146-161
    • Ojha, P.K.1    Roy, K.2
  • 31
    • 84856055732 scopus 로고    scopus 로고
    • QSAR models for toxicity of organic substances to Daphnia magna built up by using the CORAL freeware
    • Toropova A.P., Toropov A.A., Benfenati E., Gini G. QSAR models for toxicity of organic substances to Daphnia magna built up by using the CORAL freeware. Chemical Biology & Drug Design 2012, 79:332-338.
    • (2012) Chemical Biology & Drug Design , vol.79 , pp. 332-338
    • Toropova, A.P.1    Toropov, A.A.2    Benfenati, E.3    Gini, G.4


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.