메뉴 건너뛰기




Volumn 26, Issue 2, 2008, Pages 201-236

Directions in QSAR modeling for regulatory uses in OECD member countries, EU and in Russia

Author keywords

Biokinetic modeling; Computational toxicology; Evaluation and authorization of chemicals (REACH); Expert systems; Human health effects; Metabolism; Prediction; Quantitative structure activity relationships (QSARs); Registration; Regulatory agencies

Indexed keywords

MOLECULAR GRAPHICS;

EID: 46749087028     PISSN: 10590501     EISSN: 15324095     Source Type: Journal    
DOI: 10.1080/10590500802135578     Document Type: Review
Times cited : (44)

References (103)
  • 2
    • 0012906771 scopus 로고    scopus 로고
    • Summary of workshop on regulatory acceptance of (Q)SARs for human health and environmental endpoints
    • Jaworska J, Comber M, Auer C, Van Leeuwen CJ. Summary of workshop on regulatory acceptance of (Q)SARs for human health and environmental endpoints. Environmental Health Perspectives 2003;10(111):1358-60.
    • (2003) Environmental Health Perspectives , vol.10 , Issue.111 , pp. 1358-1360
    • Jaworska, J.1    Comber, M.2    Auer, C.3    Van Leeuwen, C.J.4
  • 3
    • 8344223858 scopus 로고    scopus 로고
    • The prospects for using (Q) SARs in a changing political environment- high expectations and key role for the European Commission's Joint Research Center
    • Worth A, Van Leeuwen CJ, Hartung T. The prospects for using (Q) SARs in a changing political environment- high expectations and key role for the European Commission's Joint Research Center. SAR and QSAR in Environmental Research 2004;15(5-6):331-43.
    • (2004) SAR and QSAR in Environmental Research , vol.15 , Issue.5-6 , pp. 331-343
    • Worth, A.1    Van Leeuwen, C.J.2    Hartung, T.3
  • 4
    • 47349119205 scopus 로고    scopus 로고
    • Computational Toxicology and Environmental Risk Modeling, home
    • Computational Toxicology and Environmental Risk Modeling. The European Chemicals Bureau home page. http://ecb.jrc.it/qsar/.
  • 5
    • 47349102035 scopus 로고    scopus 로고
    • Worth A, Bassan A, Gallegos A, Netzeva T, Patlewicz G, Pavan M, Tsakovska I, Vracko M. The Characterization of (Quantitative) Structure-Activity Relationships: Preliminary Guidance. EUR 21866 EN European Communities. http://ecb.jrc.it/DOCUMENTS/QSAR/QSAR characterisation EUR 21866 EN.pdf.; 2005.
    • Worth A, Bassan A, Gallegos A, Netzeva T, Patlewicz G, Pavan M, Tsakovska I, Vracko M. The Characterization of (Quantitative) Structure-Activity Relationships: Preliminary Guidance. EUR 21866 EN European Communities. http://ecb.jrc.it/DOCUMENTS/QSAR/QSAR characterisation EUR 21866 EN.pdf.; 2005.
  • 7
    • 47349106665 scopus 로고    scopus 로고
    • Report on the Regulatory Uses and Applications in OECD Member Countries of (Quantitative) Structure-Activity Relationchip ((Q)SAR) Models in the Assessment of New and Existing Chemicals. (2006). OECD Environment Health and Safety Publications. Series on Testing and Assessment No. 58. Environment Directorate, OECD, Paris.
    • Report on the Regulatory Uses and Applications in OECD Member Countries of (Quantitative) Structure-Activity Relationchip ((Q)SAR) Models in the Assessment of New and Existing Chemicals. (2006). OECD Environment Health and Safety Publications. Series on Testing and Assessment No. 58. Environment Directorate, OECD, Paris.
  • 8
    • 47349121107 scopus 로고    scopus 로고
    • Report from the Expert group on (Quantitative) Structure-Activity Relationships ((Q)SARs) on the Principles for the Validation of (Q)SARs. (2004). OECD Environment Health and Safety Publications, Series on Testing and Assessment No. 49. Environment Directorate, OECD, Paris.
    • Report from the Expert group on (Quantitative) Structure-Activity Relationships ((Q)SARs) on the Principles for the Validation of (Q)SARs. (2004). OECD Environment Health and Safety Publications, Series on Testing and Assessment No. 49. Environment Directorate, OECD, Paris.
  • 9
    • 0012906771 scopus 로고    scopus 로고
    • Summary of a workshop on regulatory acceptance of (Q)SARs for human health and environmental endpoints
    • Jaworska J, Comber M, Auer C, Van Leeuwen CJ. Summary of a workshop on regulatory acceptance of (Q)SARs for human health and environmental endpoints. Environmental Health Perspectives Mini Monograph 2003;10 (111);1358-60.
    • (2003) Environmental Health Perspectives Mini Monograph , vol.10 , Issue.111 , pp. 1358-1360
    • Jaworska, J.1    Comber, M.2    Auer, C.3    Van Leeuwen, C.J.4
  • 11
    • 0012959393 scopus 로고    scopus 로고
    • Use of QSARs in international decision-making frameworks to predict ecologic effects and environmental fate of chemical substances
    • Cronin M, Walker J, Jaworska J, Comber M, Watts C, Worth A. Use of QSARs in international decision-making frameworks to predict ecologic effects and environmental fate of chemical substances. Environmental Health Perspectives 2003;10(111):1376-90.
    • (2003) Environmental Health Perspectives , vol.10 , Issue.111 , pp. 1376-1390
    • Cronin, M.1    Walker, J.2    Jaworska, J.3    Comber, M.4    Watts, C.5    Worth, A.6
  • 12
    • 0003302467 scopus 로고    scopus 로고
    • Use of QSARs in international decision-making frameworks to predict health effects of chemical substances
    • Cronin M, Jaworska J, Walker J, Comber M, Watts C, Worth A. Use of QSARs in international decision-making frameworks to predict health effects of chemical substances. Environmental Health Perspectives 2003;10(111):1391-1401.
    • (2003) Environmental Health Perspectives , vol.10 , Issue.111 , pp. 1391-1401
    • Cronin, M.1    Jaworska, J.2    Walker, J.3    Comber, M.4    Watts, C.5    Worth, A.6
  • 13
    • 47349134079 scopus 로고    scopus 로고
    • Cronin M. Report on the Review of the Status of the Development of Alternatives to using Animals in Chemical Safety Testing and Identification of New Areas for Development or Research in the Context of the Proposed REACH Regulation, DEFRA contract number: CPEC 42, May 2005. http://www.defra. gov.uk/science/project data/DocumentLibrary/CB01067/CB01067 2795 FRA.pdf.
    • Cronin M. Report on the "Review of the Status of the Development of Alternatives to using Animals in Chemical Safety Testing and Identification of New Areas for Development or Research in the Context of the Proposed REACH Regulation", DEFRA contract number: CPEC 42, May 2005. http://www.defra. gov.uk/science/project data/DocumentLibrary/CB01067/CB01067 2795 FRA.pdf.
  • 15
    • 0037230506 scopus 로고    scopus 로고
    • An overall strategy for the testing of chemicals for human hazard and risk assessment under the EU REACH system
    • Barratt R, Balls, M. An overall strategy for the testing of chemicals for human hazard and risk assessment under the EU REACH system. ATLA 2003;31(7):19.
    • (2003) ATLA , vol.31 , Issue.7 , pp. 19
    • Barratt, R.1    Balls, M.2
  • 17
    • 33644870082 scopus 로고    scopus 로고
    • Metabolism: A bottleneck in in vitro toxicological test development. The Report and Recommendations of ECVAM Workshop 54
    • Coecke S, Ahr H, Blaauboer BJ. Metabolism: a bottleneck in in vitro toxicological test development. The Report and Recommendations of ECVAM Workshop 54. ATLA 2006;34:49-84.
    • (2006) ATLA , vol.34 , pp. 49-84
    • Coecke, S.1    Ahr, H.2    Blaauboer, B.J.3
  • 18
    • 47349102549 scopus 로고    scopus 로고
    • CAESAR project home
    • CAESAR project home page. http://www.caesar-project.eu/.
  • 19
    • 84992784204 scopus 로고    scopus 로고
    • Biography of Nikolay Vasilievich Lazarev
    • Filov VA. Biography of Nikolay Vasilievich Lazarev. International Journal of Toxicology, 2002;21(4):235-6.
    • (2002) International Journal of Toxicology , vol.21 , Issue.4 , pp. 235-236
    • Filov, V.A.1
  • 21
    • 47349106142 scopus 로고    scopus 로고
    • Krasovskii G, Pinigin M, Tepikina L, Zholdakova Z, Egorova N, Ulanova I, Sidorov K, Scherbakov B. Computational methods for prediction of safety levels of substances in different environmental media. Gigien. Aspekti Ohrani Okr. Sredi, 1979;7:43-45. Moscow. (Russian).
    • Krasovskii G, Pinigin M, Tepikina L, Zholdakova Z, Egorova N, Ulanova I, Sidorov K, Scherbakov B. Computational methods for prediction of safety levels of substances in different environmental media. Gigien. Aspekti Ohrani Okr. Sredi, 1979;7:43-45. Moscow. (Russian).
  • 22
    • 47349109664 scopus 로고    scopus 로고
    • Kasparov A, Sanotski, I. Toxicometry of environmental pollutants. CMP GKNP, 1986; p. 428. Moscow (Russian).
    • Kasparov A, Sanotski, I. Toxicometry of environmental pollutants. CMP GKNP, 1986; p. 428. Moscow (Russian).
  • 23
    • 47349083428 scopus 로고
    • Thresholds of harmful effects of chemicals in human and animal organizm. Prediction of safety levels exposure
    • Moscow, Russian
    • Sanotski I, Kagan Y, Krasovskii, G. Thresholds of harmful effects of chemicals in human and animal organizm. Prediction of safety levels exposure. In: Toxicology of Chemicals as Environmental Pollutants, 1986; pp.334-76. Moscow. (Russian).
    • (1986) Toxicology of Chemicals as Environmental Pollutants , pp. 334-376
    • Sanotski, I.1    Kagan, Y.2    Krasovskii, G.3
  • 24
    • 47349121361 scopus 로고    scopus 로고
    • Loit A, Arhipova M. Computational methods for establishment of hygienic norms in different environmental media. SPb. MAPO, 1997; p. 40. (Russian).
    • Loit A, Arhipova M. Computational methods for establishment of hygienic norms in different environmental media. SPb. MAPO, 1997; p. 40. (Russian).
  • 25
    • 47349124105 scopus 로고    scopus 로고
    • Methodical instructions for establishment of tentative safety levels of hazardous substances in workplace area. 1985; Minzrav SSSR, 04.11.85, No. 4000-85. Moscow, Russian
    • Methodical instructions for establishment of tentative safety levels of hazardous substances in workplace area. 1985; Minzrav SSSR, 04.11.85, No. 4000-85. Moscow. (Russian).
  • 26
    • 47349131878 scopus 로고    scopus 로고
    • Sanotskii I, Ulanova I, Sidorov K, Ivanov N, Khalepo I, Avilova G, Kagan Yu, Sasinovich L, Miheev M, Trahtenberg I, Speranckii S, Rotenberg Yu, Novikov S, Maksimov G, Kovyazin V, Zeltzer P, Zaeva G. Methodical instruction for application of computational and express-experimantal methods for establishment of hygienic norm of chemicals used in water bodies. 1979; Minzdrav SSSR, 08À2.78, No 1943-78. Moscow. (Russian).
    • Sanotskii I, Ulanova I, Sidorov K, Ivanov N, Khalepo I, Avilova G, Kagan Yu, Sasinovich L, Miheev M, Trahtenberg I, Speranckii S, Rotenberg Yu, Novikov S, Maksimov G, Kovyazin V, Zeltzer P, Zaeva G. Methodical instruction for application of computational and express-experimantal methods for establishment of hygienic norm of chemicals used in water bodies. 1979; Minzdrav SSSR, 08À2.78, No 1943-78. Moscow. (Russian).
  • 27
    • 0019073822 scopus 로고
    • Modern appraches in prediction of toxicity of hazardous substances using relationship between chemical structure and biological activity
    • Russian
    • Novikov S. Modern appraches in prediction of toxicity of hazardous substances using relationship between chemical structure and biological activity. Gig Sanit 1980;10:16-19 (Russian).
    • (1980) Gig Sanit , vol.10 , pp. 16-19
    • Novikov, S.1
  • 28
    • 47349131609 scopus 로고
    • Prediction of toxicological parameters of individual groups of chemicals on the basis of SAR
    • Russian
    • Jegorov N. Prediction of toxicological parameters of individual groups of chemicals on the basis of SAR. Gig Sanit 1980;11:23-25 (Russian).
    • (1980) Gig Sanit , vol.11 , pp. 23-25
    • Jegorov, N.1
  • 29
    • 85057680379 scopus 로고
    • Molecular connectivity and acute toxicity of chemicals
    • Russian
    • Zholdakova Z, Koh, R. (1986). Molecular connectivity and acute toxicity of chemicals. Gig Sanit 1986;2; p. 77-79 (Russian).
    • (1986) Gig Sanit 1986 , vol.2 , pp. 77-79
    • Zholdakova, Z.1    Koh, R.2
  • 30
    • 47349122761 scopus 로고
    • The prediction of lethal doses (LD50) of drugs and products of there synthesis using a computer
    • Russian
    • Tsaritschenko G, Malochnik V, Liberman M et al. The prediction of lethal doses (LD50) of drugs and products of there synthesis using a computer. Gigiena truda i profzabolevania, 1983;9:64-66 (Russian).
    • (1983) Gigiena truda i profzabolevania , vol.9 , pp. 64-66
    • Tsaritschenko, G.1    Malochnik, V.2    Liberman, M.3
  • 31
    • 0027023463 scopus 로고
    • Predicting the toxicity level of organic substances by analyzing their structural fragments
    • Koviazin VG. Predicting the toxicity level of organic substances by analyzing their structural fragments. Gig Tr Prof Zabol 1992;1:27-30.
    • (1992) Gig Tr Prof Zabol , vol.1 , pp. 27-30
    • Koviazin, V.G.1
  • 32
    • 18144418972 scopus 로고    scopus 로고
    • Quantifying hydrogen bonding in QSAR and molecular modeling
    • Raevsky O, Skvortsov V. Quantifying hydrogen bonding in QSAR and molecular modeling, SAR QSAR Environ. Res 2005;3:287-300.
    • (2005) SAR QSAR Environ. Res , vol.3 , pp. 287-300
    • Raevsky, O.1    Skvortsov, V.2
  • 33
    • 0026522655 scopus 로고
    • Complete thermodynamic description of H-bonding in the framework of multiplicative approach
    • Raevsky O, Grigor'ev Ju, Kireev D, Zefirov N. Complete thermodynamic description of H-bonding in the framework of multiplicative approach. Quant Struct-Act Relat 1992;11:49-64.
    • (1992) Quant Struct-Act Relat , vol.11 , pp. 49-64
    • Raevsky, O.1    Ju, G.2    Kireev, D.3    Zefirov, N.4
  • 34
    • 0033636645 scopus 로고    scopus 로고
    • A new program for calculating solubility, lipophilicity, and liposome penetrability
    • Raevskii O, Trepalina E, Trepalin S. A new program for calculating solubility, lipophilicity, and liposome penetrability. Pharmaceutical Chemistry Journal 2000;1:33-36.
    • (2000) Pharmaceutical Chemistry Journal , vol.1 , pp. 33-36
    • Raevskii, O.1    Trepalina, E.2    Trepalin, S.3
  • 35
    • 8344283659 scopus 로고    scopus 로고
    • Creation of predictive models of aquatic toxicity of environmental pollutants with different mechanisms of action on the basis of molecular similarity and HYBOT descriptors
    • Raevsky O, Dearden J. Creation of predictive models of aquatic toxicity of environmental pollutants with different mechanisms of action on the basis of molecular similarity and HYBOT descriptors. SAR QSAR Environ Res 2005;15(5-6):433-48
    • (2005) SAR QSAR Environ Res , vol.15 , Issue.5-6 , pp. 433-448
    • Raevsky, O.1    Dearden, J.2
  • 36
    • 0036589082 scopus 로고    scopus 로고
    • SLIPPER-2001-software for predicting molecular properties on the basis of physicochemical descriptors and structural similarity
    • Comput Sci
    • Raevsky O, Trepalin V, Trepalina S, Gerasimenko V, Raevskaja O. SLIPPER-2001-software for predicting molecular properties on the basis of physicochemical descriptors and structural similarity. J Chem Inf Comput Sci 2001;42(3):540.
    • (2001) J Chem Inf , vol.42 , Issue.3 , pp. 540
    • Raevsky, O.1    Trepalin, V.2    Trepalina, S.3    Gerasimenko, V.4    Raevskaja, O.5
  • 37
    • 47349116686 scopus 로고
    • Prediction of acute toxicity of organic compounds on the basis of pattern recognition methods. Khim.-pharm journal
    • Solominova T, Maximov G, Semenov V. Prediction of acute toxicity of organic compounds on the basis of pattern recognition methods. Khim.-pharm journal 1984;2:181-188.
    • (1984) , vol.2 , pp. 181-188
    • Solominova, T.1    Maximov, G.2    Semenov, V.3
  • 38
    • 47349084426 scopus 로고
    • Prediction o the class of acute toxicity of 1,3,4-thiadiazine derivatives. Khim.-pharm journal
    • Belik A, Novikova L, Petrova Y, Sidorova L, Novikova A, Chupakhin O. Prediction o the class of acute toxicity of 1,3,4-thiadiazine derivatives. Khim.-pharm journal 1992;3:62-64.
    • (1992) , vol.3 , pp. 62-64
    • Belik, A.1    Novikova, L.2    Petrova, Y.3    Sidorova, L.4    Novikova, A.5    Chupakhin, O.6
  • 40
    • 0032612463 scopus 로고    scopus 로고
    • The prediction of the class of hazard of organic compounds by their structure
    • Zul'karnaev T, Solominova T, Tiurina L, Novikov S. The prediction of the class of hazard of organic compounds by their structure. Gig Sanit 1999;1:56-9.
    • (1999) Gig Sanit , vol.1 , pp. 56-59
    • Zul'karnaev, T.1    Solominova, T.2    Tiurina, L.3    Novikov, S.4
  • 41
    • 0001022357 scopus 로고    scopus 로고
    • A neural device for searching direct correlations between structures and properties of chemical compounds
    • Baskin I, Palyulin V, Zefirov N. A neural device for searching direct correlations between structures and properties of chemical compounds. Journal of Chemical Information and Computer Science 1997;37(4):715-21.
    • (1997) Journal of Chemical Information and Computer Science , vol.37 , Issue.4 , pp. 715-721
    • Baskin, I.1    Palyulin, V.2    Zefirov, N.3
  • 42
    • 47349129775 scopus 로고
    • Interval- polynomial approximation method as a way to increase efficiency of accelerated estimations of safety levels of hazardous substances in water
    • Russian
    • Zholdakova Z, Gusev E. Interval- polynomial approximation method as a way to increase efficiency of accelerated estimations of safety levels of hazardous substances in water. Gig Sanit 1987;7:9-13 (Russian).
    • (1987) Gig Sanit , vol.7 , pp. 9-13
    • Zholdakova, Z.1    Gusev, E.2
  • 43
    • 0030628887 scopus 로고    scopus 로고
    • Theoretical interpretation of structure-genotoxicity relationships for mammals and bacteria in case of aliphatic halogen compounds with short chain
    • Russian
    • Kharchevnikova N, Zholdakova Z, Zhurkov V. Theoretical interpretation of structure-genotoxicity relationships for mammals and bacteria in case of aliphatic halogen compounds with short chain. Vestn. Ross Akad Med Nauk 1997;7:8-13 (Russian).
    • (1997) Vestn. Ross Akad Med Nauk , vol.7 , pp. 8-13
    • Kharchevnikova, N.1    Zholdakova, Z.2    Zhurkov, V.3
  • 44
    • 0032109304 scopus 로고    scopus 로고
    • Theoretical approaches to predicting the metabolism and toxicity of aromatic amines
    • Russian
    • Kharchevnikova N, Zholdakova Z, Zhurkov V. Theoretical approaches to predicting the metabolism and toxicity of aromatic amines. Gig Sanit 1998;4:62-65 (Russian).
    • (1998) Gig Sanit , vol.4 , pp. 62-65
    • Kharchevnikova, N.1    Zholdakova, Z.2    Zhurkov, V.3
  • 45
    • 0025035110 scopus 로고
    • Use of quantitative chemical characteristics of phenol ethers in the prediction of toxicity and maximum permissible exposure levels (MPEL) in the air of work areas
    • Khalepo A, Ulanova I, D'iachkov P, Ibatullina R. Use of quantitative chemical characteristics of phenol ethers in the prediction of toxicity and maximum permissible exposure levels (MPEL) in the air of work areas. Gig Tr Prof Zabol 1990;3:10-15.
    • (1990) Gig Tr Prof Zabol , vol.3 , pp. 10-15
    • Khalepo, A.1    Ulanova, I.2    D'iachkov, P.3    Ibatullina, R.4
  • 46
    • 33644847312 scopus 로고    scopus 로고
    • A system for predicting the toxicity and hazard of chemical substances, based on the joint use of logistic and numerical methods
    • Kharchevnikova N. A system for predicting the toxicity and hazard of chemical substances, based on the joint use of logistic and numerical methods. Gig Sanit 2005;6:21-24.
    • (2005) Gig Sanit , vol.6 , pp. 21-24
    • Kharchevnikova, N.1
  • 48
    • 47349096360 scopus 로고    scopus 로고
    • Maksin M, Kharchevnikova N. Quantum mechanical module realizing a numerical approach to the problem of prediction of chemical's properties. J. Nauchno-tehnicheskoi informacii, 2002;ser. 2, 6:25-31.
    • Maksin M, Kharchevnikova N. Quantum mechanical module realizing a numerical approach to the problem of prediction of chemical's properties. J. Nauchno-tehnicheskoi informacii, 2002;ser. 2, 6:25-31.
  • 49
    • 47349125697 scopus 로고    scopus 로고
    • Kharchevnikova N, Maksin M, Blinova V, Dobrynin D, Zholdakova Z. Prediction of carcinogenicity of polycyclic aromatic hydrocarbons using a quantum-chemical module of metabolites generation, a part of the intellectual JSM system. Ibid.,2003;11:15-17.
    • Kharchevnikova N, Maksin M, Blinova V, Dobrynin D, Zholdakova Z. Prediction of carcinogenicity of polycyclic aromatic hydrocarbons using a quantum-chemical module of metabolites generation, a part of the intellectual JSM system. Ibid.,2003;11:15-17.
  • 50
    • 47349098392 scopus 로고    scopus 로고
    • Kharchevnikova N, Blinova V, Maksin M, Dobrynin D, Zholdakova Z. Prediction of chronic toxicity and carcinogenicity of halogenated aliphatic compounds using JSM l method of authomatic hypothesis generation and quantum chemical calculations Ibid. 2004;12:15-19.
    • Kharchevnikova N, Blinova V, Maksin M, Dobrynin D, Zholdakova Z. Prediction of chronic toxicity and carcinogenicity of halogenated aliphatic compounds using JSM l method of authomatic hypothesis generation and quantum chemical calculations Ibid. 2004;12:15-19.
  • 52
    • 26944481158 scopus 로고    scopus 로고
    • Quantum chemical model for prediction of the site of hydroxylation of aromatic substances mediated by cytochrome P450
    • Kharchevnikova N, Dmitriev A, Borodina Iu, D'iachkov P. Quantum chemical model for prediction of the site of hydroxylation of aromatic substances mediated by cytochrome P450. Biomed Khim 2005;51(3):341-55.
    • (2005) Biomed Khim , vol.51 , Issue.3 , pp. 341-355
    • Kharchevnikova, N.1    Dmitriev, A.2    Borodina, I.3    D'iachkov, P.4
  • 53
    • 10044275065 scopus 로고
    • Quantum-chemical calculations in the study of action mechanism and toxicity of xenobiotics. Itogi nauki I techniki VINITI
    • Russian
    • Dyachkov P. Quantum-chemical calculations in the study of action mechanism and toxicity of xenobiotics. Itogi nauki I techniki VINITI. Ser Toksikologya 1990;16:1-280 (Russian).
    • (1990) Ser Toksikologya , vol.16 , pp. 1-280
    • Dyachkov, P.1
  • 54
    • 33744927672 scopus 로고    scopus 로고
    • Application of quantum-chemical methods to prediction of the carcinogenicity of chemical substances
    • Zholdakova Z, Kharchevnikova N. Application of quantum-chemical methods to prediction of the carcinogenicity of chemical substances. Vestn Ross Akad Med Nauk 2006;4:46-54.
    • (2006) Vestn Ross Akad Med Nauk , vol.4 , pp. 46-54
    • Zholdakova, Z.1    Kharchevnikova, N.2
  • 55
    • 26944477800 scopus 로고    scopus 로고
    • Use of ensemble structural descriptors for increasing the efficiency of QSAR study
    • Russian
    • Tarasov V, Mustafaev O, Abilev S, Mel'nik V. Use of ensemble structural descriptors for increasing the efficiency of QSAR study. Genetika 2005;41(7):997-1005 (Russian).
    • (2005) Genetika , vol.41 , Issue.7 , pp. 997-1005
    • Tarasov, V.1    Mustafaev, O.2    Abilev, S.3    Mel'nik, V.4
  • 56
    • 33748115620 scopus 로고    scopus 로고
    • Evaluation of the mutagenic effects of environmental factors using polyorgan micronuclear test
    • Sycheva L. Evaluation of the mutagenic effects of environmental factors using polyorgan micronuclear test. Vestn. Ross Akad Med Nauk 2006;7:27-32.
    • (2006) Vestn. Ross Akad Med Nauk , vol.7 , pp. 27-32
    • Sycheva, L.1
  • 57
    • 0002344033 scopus 로고
    • Computer-aided prediction of biological activity spectra of chemical substances on the basis of their structural formulae: Computerized system PASS
    • Russian
    • Filimonov DA, Poroikov VV, Karaicheva EI et al. Computer-aided prediction of biological activity spectra of chemical substances on the basis of their structural formulae: computerized system PASS. Experimental and Clinical Pharmacology 1995;58(2):56-62 (Russian).
    • (1995) Experimental and Clinical Pharmacology , vol.58 , Issue.2 , pp. 56-62
    • Filimonov, D.A.1    Poroikov, V.V.2    Karaicheva, E.I.3
  • 58
    • 47349118680 scopus 로고    scopus 로고
    • Gloriozova TA, Filimonov DA, Lagunin AA, Poroikov VV. Evaluation of computer system for prediction of biological activity PASS on the set of new chemical compounds. Chim.-Pharm. J. 1998;32(12):32-39 (English translation by Consultants Bureau, New York: Pharmaceutical Chemistry Journal) (Rus).
    • Gloriozova TA, Filimonov DA, Lagunin AA, Poroikov VV. Evaluation of computer system for prediction of biological activity PASS on the set of new chemical compounds. Chim.-Pharm. J. 1998;32(12):32-39 (English translation by Consultants Bureau, New York: Pharmaceutical Chemistry Journal) (Rus).
  • 59
    • 0037241423 scopus 로고    scopus 로고
    • Prediction of biological activity spectra for substances: Evaluation on the diverse set of drugs-like structures
    • Stepanchikova AV, Lagunin AA, Filimonov DA, Poroikov VV. Prediction of biological activity spectra for substances: Evaluation on the diverse set of drugs-like structures. Curr Med Chem 2003;10(3):225-33.
    • (2003) Curr Med Chem , vol.10 , Issue.3 , pp. 225-233
    • Stepanchikova, A.V.1    Lagunin, A.A.2    Filimonov, D.A.3    Poroikov, V.V.4
  • 60
    • 84964803288 scopus 로고    scopus 로고
    • PASS: Prediction of biological activity spectra for substances
    • H. Christoph, Ed, Boca Raton: Taylor & Francis Group, LLC
    • Poroikov V, & Filimonov D. PASS: prediction of biological activity spectra for substances. In: H. Christoph, (Ed), Predictive Toxicology 2005; 459-478. Boca Raton: Taylor & Francis Group, LLC.
    • (2005) Predictive Toxicology , pp. 459-478
    • Poroikov, V.1    Filimonov, D.2
  • 61
    • 36448930882 scopus 로고    scopus 로고
    • Prediction of biological activity spectra for organic compounds
    • Russian
    • Filimonov DA, Poroikov VV. Prediction of biological activity spectra for organic compounds. Russian Chemical Journal 2006;50(2):66-75 (Russian).
    • (2006) Russian Chemical Journal , vol.50 , Issue.2 , pp. 66-75
    • Filimonov, D.A.1    Poroikov, V.V.2
  • 62
    • 47349119716 scopus 로고    scopus 로고
    • PASS INet project home page
    • PASS INet project home page (2000). http://www.ibmc.msk.ru/PASS.
    • (2000)
  • 63
    • 0034320172 scopus 로고    scopus 로고
    • Robustness of biological activity spectra predicting by computer program pass for non-congeneric sets of chemical compounds
    • Poroikov VV, Filimonov DA, Borodina Yu V, Lagunin AA & Kos A. Robustness of biological activity spectra predicting by computer program pass for non-congeneric sets of chemical compounds. J Chem Inf Comput Sci 2000;40(6):1349-55.
    • (2000) J Chem Inf Comput Sci , vol.40 , Issue.6 , pp. 1349-1355
    • Poroikov, V.V.1    Filimonov, D.A.2    Borodina Yu, V.3    Lagunin, A.A.4    Kos, A.5
  • 64
    • 0000992784 scopus 로고    scopus 로고
    • Chemical similarity assessment through multilevel neighborhoods of atoms: Definition and comparison with the other descriptors
    • Filimonov D, Poroikov V, Borodina Yu, Gloriozova T. Chemical similarity assessment through multilevel neighborhoods of atoms: definition and comparison with the other descriptors. J Chem Comput Sci 1999;39(4):666-70.
    • (1999) J Chem Comput Sci , vol.39 , Issue.4 , pp. 666-670
    • Filimonov, D.1    Poroikov, V.2    Yu, B.3    Gloriozova, T.4
  • 65
    • 0037499669 scopus 로고    scopus 로고
    • How to acquire new biological activities in old compounds by computer prediction
    • Poroikov VV & Filimonov DA. How to acquire new biological activities in old compounds by computer prediction. J Comput Aid Mol Des 2003;16(11):819-24.
    • (2003) J Comput Aid Mol Des , vol.16 , Issue.11 , pp. 819-824
    • Poroikov, V.V.1    Filimonov, D.A.2
  • 66
    • 0035913046 scopus 로고    scopus 로고
    • Discriminating between drugs and nondrugs by prediction of activity spectra for substances (PASS)
    • Anzali S, Barnickel G, Cezanne B, Krug M, Filimonov D, Poroikov V. Discriminating between drugs and nondrugs by prediction of activity spectra for substances (PASS). J Med Chem 2001;44(15):2432-7.
    • (2001) J Med Chem , vol.44 , Issue.15 , pp. 2432-2437
    • Anzali, S.1    Barnickel, G.2    Cezanne, B.3    Krug, M.4    Filimonov, D.5    Poroikov, V.6
  • 71
    • 47349095830 scopus 로고    scopus 로고
    • Zakharov AV, Lagunin AA, Filimonov DA, Poroikov VV. Quantitative Structure-Activity Relationships of Cyclin-Dependent Kinase I Inhibitors. Biochemistry (Moscow), Supplement, Series B, Biomedical Chemistry, 2007;1(1):17-28.
    • Zakharov AV, Lagunin AA, Filimonov DA, Poroikov VV. Quantitative Structure-Activity Relationships of Cyclin-Dependent Kinase I Inhibitors. Biochemistry (Moscow), Supplement, Series B, Biomedical Chemistry, 2007;1(1):17-28.
  • 75
    • 47349128182 scopus 로고    scopus 로고
    • Zakharov AV, Filimonov DA, Lagunin AA, Poroikov VV. GUSAR (general inrestricted structure-activity relationships) program package. 2004; Russian State Patent Agency. N 2006613591 of 16.10.2006
    • Zakharov AV, Filimonov DA, Lagunin AA, Poroikov VV. GUSAR (general inrestricted structure-activity relationships) program package. 2004; Russian State Patent Agency. N 2006613591 of 16.10.2006.
  • 76
    • 47349097373 scopus 로고    scopus 로고
    • Zakharov AV, Filimonov DA, Lagunin AA, Poroikov VV. GUSAR: new approach for multiple QSAR. 2007; Quant. Struct. Activ. Relations. (In press).
    • Zakharov AV, Filimonov DA, Lagunin AA, Poroikov VV. GUSAR: new approach for multiple QSAR. 2007; Quant. Struct. Activ. Relations. (In press).
  • 77
  • 78
    • 34548562171 scopus 로고    scopus 로고
    • Quantum chemical simulation of cytochrome P450 catalyzed aromatic oxidation: Metabolism, toxicity, and biodegradation of benzene derivatives
    • D'yachkov PN, Kharchevnikova NV, Dmitriev AV, Kuznetsov AV, Poroikov VV. Quantum chemical simulation of cytochrome P450 catalyzed aromatic oxidation: Metabolism, toxicity, and biodegradation of benzene derivatives. International Journal of Quantum Chemistry, 2007;107(13):2454-78.
    • (2007) International Journal of Quantum Chemistry , vol.107 , Issue.13 , pp. 2454-2478
    • D'yachkov, P.N.1    Kharchevnikova, N.V.2    Dmitriev, A.V.3    Kuznetsov, A.V.4    Poroikov, V.V.5
  • 79
    • 33847009558 scopus 로고    scopus 로고
    • Poroikov V, Filimonov D, Lagunin A, Gloriozova T, Zakharov A. PASS: Identification of probable targets and mechanisms of toxicity. SAR & QSAR in Environmental Research. 2007;18(1-2):101-10.
    • Poroikov V, Filimonov D, Lagunin A, Gloriozova T, Zakharov A. PASS: Identification of probable targets and mechanisms of toxicity. SAR & QSAR in Environmental Research. 2007;18(1-2):101-10.
  • 81
    • 0033737778 scopus 로고    scopus 로고
    • PASS: Prediction of activity spectra for biologically active substances
    • Lagunin A, Stepanchikova A, Filimonov D, Poroikov V. PASS: prediction of activity spectra for biologically active substances. Bioinformatics 2000;16(8):747-8.
    • (2000) Bioinformatics , vol.16 , Issue.8 , pp. 747-748
    • Lagunin, A.1    Stepanchikova, A.2    Filimonov, D.3    Poroikov, V.4
  • 86
    • 47349101334 scopus 로고    scopus 로고
    • Novikov SM, Poroikov VV, Tertichnikov SN, Filimonov DA, Zholdakova ZI, Kharchevnikova NV, Tepikina LA. Computer Database SARET base. State Registry Number 0229601501. Reg. No 1114 of 16 December 1996, Moscow: Informregistr.
    • Novikov SM, Poroikov VV, Tertichnikov SN, Filimonov DA, Zholdakova ZI, Kharchevnikova NV, Tepikina LA. Computer Database SARET base. State Registry Number 0229601501. Reg. No 1114 of 16 December 1996, Moscow: Informregistr.
  • 87
    • 47349113257 scopus 로고
    • Contemporary Problems of computer systems application for estimation of toxicological and ecotoxicological risks for chemical compounds
    • Russian
    • Novikov SM, Poroikov VV, Semenovyh LN. Contemporary Problems of computer systems application for estimation of toxicological and ecotoxicological risks for chemical compounds. Hygiene and Sanitary 1994;5:4-8 (Russian).
    • (1994) Hygiene and Sanitary , vol.5 , pp. 4-8
    • Novikov, S.M.1    Poroikov, V.V.2    Semenovyh, L.N.3
  • 89
    • 47349131121 scopus 로고    scopus 로고
    • Russian National register of potentially hazardous chemical and biological substances, Moscow
    • Russian National register of potentially hazardous chemical and biological substances, Moscow, http://www.rpohv.ru/.
  • 90
    • 47349126729 scopus 로고    scopus 로고
    • Filov VA, Ivina BA, Musijchuk YI. Harmful substances. Oxygen-containing organic substances. S-Petersburg (SPb): NPO Professional, 2004; part 1: p. 402; part 2: p. 342. (Russian).
    • Filov VA, Ivina BA, Musijchuk YI. Harmful substances. Oxygen-containing organic substances. S-Petersburg (SPb): NPO Professional, 2004; part 1: p. 402; part 2: p. 342. (Russian).
  • 91
    • 47349123274 scopus 로고
    • Nonorganic substances of elements by group I-IV. SPb: Khimia, Leningrad, Russian
    • Filov VA et al. Harmful substances. Nonorganic substances of elements by group I-IV. SPb: Khimia, Leningrad, 1988; p. 512 (Russian).
    • (1988) Harmful substances , pp. 512
    • Filov, V.A.1
  • 92
    • 47349123274 scopus 로고
    • Nonorganic substances of elements by group V-VIII. SPb: Khimia, Leningrad, Russian
    • Filov VA et al. Harmful substances. Nonorganic substances of elements by group V-VIII. SPb: Khimia, Leningrad, 1989; p. 592 (Russian).
    • (1989) Harmful substances , pp. 592
    • Filov, V.A.1
  • 93
    • 47349113258 scopus 로고
    • Harmful substances
    • SPb: Khimia, Leningrad, Russian
    • Filov VA et al. Harmful substances. Radioactive substances. SPb: Khimia, Leningrad, 1990; p.464 (Russian).
    • (1990) Radioactive substances , pp. 464
    • Filov, V.A.1
  • 94
    • 47349088198 scopus 로고    scopus 로고
    • Harmful substances. Carbohydrates
    • SPb: Khimia, Leningrad, Russian
    • Filov VA et al. Harmful substances. Carbohydrates. Halogen containing carbohydrates. SPb: Khimia, Leningrad, 1999; p. 732 (Russian).
    • (1999) Halogen containing carbohydrates , pp. 732
    • Filov, V.A.1
  • 95
    • 47349091666 scopus 로고
    • Harmful substances
    • SPb: Khimia, Leningrad, Russian
    • Filov VA et al. Harmful substances. Nitrogen-containing organic substances. SPb: Khimia, Leningrad, 1992; p. 432 (Russian).
    • (1992) Nitrogen-containing organic substances , pp. 432
    • Filov, V.A.1
  • 97
    • 47349115577 scopus 로고    scopus 로고
    • Filov VA et al. Harmful substances. Natural organic substances. SPb: Khimia, Leningrad, 1994; p. 504Ò (Russian).
    • Filov VA et al. Harmful substances. Natural organic substances. SPb: Khimia, Leningrad, 1994; p. 504Ò (Russian).
  • 98
    • 47349121362 scopus 로고    scopus 로고
    • Filov VA, Ivin BA. Environmental chemical pollutants, toxicology and information. Ros. Khim. J., 2004, 2 (Russian).
    • Filov VA, Ivin BA. Environmental chemical pollutants, toxicology and information. Ros. Khim. J., 2004, 2 (Russian).
  • 102
    • 47349096607 scopus 로고    scopus 로고
    • Rahmanin Y et al. Hygienic norms of chemical substances in the environment. SPb.: NPO Professional, 2006; p. 736. (Russian).
    • Rahmanin Y et al. Hygienic norms of chemical substances in the environment. SPb.: NPO Professional, 2006; p. 736. (Russian).
  • 103
    • 47349118396 scopus 로고    scopus 로고
    • Database HAZARD
    • Database HAZARD, http://www.iephb.nw.ru/~spirov/hazard/


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.