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Volumn 116, Issue , 2016, Pages 71-75

The Monte Carlo technique as a tool to predict LOAEL

Author keywords

Drug toxicity; Ecology; LOAEL; Optimal descriptor; QSAR; SMILES

Indexed keywords

CARBON; NITROGEN; ORGANIC COMPOUND; OXYGEN;

EID: 84962637710     PISSN: 02235234     EISSN: 17683254     Source Type: Journal    
DOI: 10.1016/j.ejmech.2016.03.075     Document Type: Article
Times cited : (32)

References (28)
  • 1
    • 79955701013 scopus 로고    scopus 로고
    • Overall impact of the regulatory requirements for genotoxic impurities on the drug development process
    • A. Giordani, W. Kobel, and H. Ulrich Gally Overall impact of the regulatory requirements for genotoxic impurities on the drug development process Eur. J. Pharm. Sci. 43 2011 1 15
    • (2011) Eur. J. Pharm. Sci. , vol.43 , pp. 1-15
    • Giordani, A.1    Kobel, W.2    Ulrich Gally, H.3
  • 3
    • 84904603402 scopus 로고    scopus 로고
    • Melatonin does not modify the concentration of different metals in AbPP transgenic mice
    • C. Di Paolo, M. Cabré, J.L. Domingo, and M. Gómez Melatonin does not modify the concentration of different metals in AbPP transgenic mice Food Chem. Toxicol. 70 2014 252 259
    • (2014) Food Chem. Toxicol. , vol.70 , pp. 252-259
    • Di Paolo, C.1    Cabré, M.2    Domingo, J.L.3    Gómez, M.4
  • 5
    • 0034909049 scopus 로고    scopus 로고
    • Assessment of the no-observed-adverse-effect level (NOAEL) of gallic acid in mice
    • K. Rajalakshmi, H. Devaraj, and S. Niranjali Devaraj Assessment of the no-observed-adverse-effect level (NOAEL) of gallic acid in mice Food Chem. Toxicol. 39 2001 919 922
    • (2001) Food Chem. Toxicol. , vol.39 , pp. 919-922
    • Rajalakshmi, K.1    Devaraj, H.2    Niranjali Devaraj, S.3
  • 7
    • 38549117345 scopus 로고    scopus 로고
    • Computer-aided drug discovery and development (CADDD): In silico-chemico-biological approach
    • I.M. Kapetanovic Computer-aided drug discovery and development (CADDD): in silico-chemico-biological approach Chemico-Biological Interact. 171 2008 165 176
    • (2008) Chemico-Biological Interact. , vol.171 , pp. 165-176
    • Kapetanovic, I.M.1
  • 8
    • 79151478389 scopus 로고    scopus 로고
    • Ligand - Based virtual screening procedure for the prediction and the identification of novel b-amyloid aggregation inhibitors using Kohonen maps and Counterpropagation Artificial Neural Networks
    • A. Afantitis, G. Melagraki, P.A. Koutentis, H. Sarimveis, and G. Kollias Ligand - based virtual screening procedure for the prediction and the identification of novel b-amyloid aggregation inhibitors using Kohonen maps and Counterpropagation Artificial Neural Networks Eur. J. Med. Chem. 46 2011 497 508
    • (2011) Eur. J. Med. Chem. , vol.46 , pp. 497-508
    • Afantitis, A.1    Melagraki, G.2    Koutentis, P.A.3    Sarimveis, H.4    Kollias, G.5
  • 9
    • 79951931261 scopus 로고    scopus 로고
    • Relation between second and third geometric-arithmetic indices of trees
    • B. Furtula, and I. Gutman Relation between second and third geometric-arithmetic indices of trees J. Chemom. 25 2011 87 91
    • (2011) J. Chemom. , vol.25 , pp. 87-91
    • Furtula, B.1    Gutman, I.2
  • 10
    • 80055096902 scopus 로고    scopus 로고
    • Comparative QSARs for antimalarial endochins: Importance of descriptor-thinning and noise reduction prior to feature selection
    • P.K. Ojha, and K. Roy Comparative QSARs for antimalarial endochins: importance of descriptor-thinning and noise reduction prior to feature selection Chemom. Intell. Lab. Syst. 109 2011 146 161
    • (2011) Chemom. Intell. Lab. Syst. , vol.109 , pp. 146-161
    • Ojha, P.K.1    Roy, K.2
  • 11
    • 84861180195 scopus 로고    scopus 로고
    • Electrotopological state atom (E-State) index in drug design, QSAR, property prediction and toxicity assessment
    • K. Roy, and I. Mitra Electrotopological state atom (E-State) index in drug design, QSAR, property prediction and toxicity assessment Curr. Computer-Aided Drug Des. 8 2012 135 158
    • (2012) Curr. Computer-Aided Drug Des. , vol.8 , pp. 135-158
    • Roy, K.1    Mitra, I.2
  • 15
    • 79959795631 scopus 로고    scopus 로고
    • QSAR treatment on a new class of triphenylmethyl-containing compounds as potent anticancer agents
    • L.M.A. Mullen, P.R. Duchowicz, and E.A. Castro QSAR treatment on a new class of triphenylmethyl-containing compounds as potent anticancer agents Chemom. Intell. Lab. Syst. 107 2011 269 275
    • (2011) Chemom. Intell. Lab. Syst. , vol.107 , pp. 269-275
    • Mullen, L.M.A.1    Duchowicz, P.R.2    Castro, E.A.3
  • 16
    • 84956610396 scopus 로고    scopus 로고
    • CORAL software http://www.insilico.eu/coral 2015
    • (2015) CORAL Software
  • 17
    • 0023965741 scopus 로고
    • SMILES, a chemical language and information system. 1. Introduction to methodology and encoding rules
    • D. Weininger SMILES, a chemical language and information system. 1. Introduction to methodology and encoding rules J. Chem. Inf. Comput. Sci. 28 1988 31 36
    • (1988) J. Chem. Inf. Comput. Sci. , vol.28 , pp. 31-36
    • Weininger, D.1
  • 19
    • 0000144425 scopus 로고
    • Smiles. 3. Depict. Graphical depiction of chemical structures
    • D. Weininger Smiles. 3. Depict. Graphical depiction of chemical structures J. Chem. Inf. Comput. Sci. 30 1990 237 243
    • (1990) J. Chem. Inf. Comput. Sci. , vol.30 , pp. 237-243
    • Weininger, D.1
  • 20
    • 84872580195 scopus 로고    scopus 로고
    • SMILES-based QSAR model for arylpiperazines as high-affinity 5-HT1A receptor ligands using CORAL
    • A.M. Veselinović, J.B. Milosavljević, A.A. Toropov, and G.M. Nikolić SMILES-based QSAR model for arylpiperazines as high-affinity 5-HT1A receptor ligands using CORAL Eur. J. Pharm. Sci. 48 2013 532 541
    • (2013) Eur. J. Pharm. Sci. , vol.48 , pp. 532-541
    • Veselinović, A.M.1    Milosavljević, J.B.2    Toropov, A.A.3    Nikolić, G.M.4
  • 21
    • 84873716367 scopus 로고    scopus 로고
    • SMILES-Based QSAR models for the calcium channel-antagonistic effect of 1,4-dihydropyridines
    • A.M. Veselinović, J.B. Milosavljević, A.A. Toropov, and G.M. Nikolić SMILES-Based QSAR models for the calcium channel-antagonistic effect of 1,4-dihydropyridines Arch. der Pharm. 346 2013 134 139
    • (2013) Arch. der Pharm. , vol.346 , pp. 134-139
    • Veselinović, A.M.1    Milosavljević, J.B.2    Toropov, A.A.3    Nikolić, G.M.4
  • 23
    • 84887307233 scopus 로고    scopus 로고
    • CORAL software: Prediction of carcinogenicity of drugs by means of the Monte Carlo method
    • A.P. Toropova, and A.A. Toropov CORAL software: prediction of carcinogenicity of drugs by means of the Monte Carlo method Eur. J. Pharm. Sci. 52 2014 21 25
    • (2014) Eur. J. Pharm. Sci. , vol.52 , pp. 21-25
    • Toropova, A.P.1    Toropov, A.A.2
  • 24
    • 84880183220 scopus 로고    scopus 로고
    • SMILES-based quantitative structure-property relationships for half-wave potential of N-benzylsalicylthioamides
    • K. Nesmerak, A.A. Toropov, A.P. Toropova, P. Kohoutova, and K. Waisser SMILES-based quantitative structure-property relationships for half-wave potential of N-benzylsalicylthioamides Eur. J. Med. Chem. 67 2013 111 114
    • (2013) Eur. J. Med. Chem. , vol.67 , pp. 111-114
    • Nesmerak, K.1    Toropov, A.A.2    Toropova, A.P.3    Kohoutova, P.4    Waisser, K.5
  • 26
    • 79959742537 scopus 로고    scopus 로고
    • CORAL: Quantitative structure-activity relationship models for estimating toxicity of organic compounds in rats
    • A.P. Toropova, A.A. Toropov, E. Benfenati, G. Gini, D. Leszczynska, and J. Leszczynski CORAL: quantitative structure-activity relationship models for estimating toxicity of organic compounds in rats J. Comput. Chem. 32 2011 2727 2733
    • (2011) J. Comput. Chem. , vol.32 , pp. 2727-2733
    • Toropova, A.P.1    Toropov, A.A.2    Benfenati, E.3    Gini, G.4    Leszczynska, D.5    Leszczynski, J.6
  • 28
    • 84861521242 scopus 로고    scopus 로고
    • Comparison of different approaches to define the applicability domain of QSAR models
    • F. Sahigara, K. Mansouri, D. Ballabio, A. Mauri, V. Consonni, and R. Todeschini Comparison of different approaches to define the applicability domain of QSAR models Mol. 17 2012 4791 4810
    • (2012) Mol. , vol.17 , pp. 4791-4810
    • Sahigara, F.1    Mansouri, K.2    Ballabio, D.3    Mauri, A.4    Consonni, V.5    Todeschini, R.6


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.