메뉴 건너뛰기




Volumn 77, Issue 7, 2009, Pages 999-1009

QSTR with extended topochemical atom (ETA) indices. 12. QSAR for the toxicity of diverse aromatic compounds to Tetrahymena pyriformis using chemometric tools

Author keywords

Chemometric tools; ETA; QSAR; QSTR; Tetrahymena pyriformis

Indexed keywords

AROMATIC COMPOUNDS; AROMATIZATION; ATOMS; K-MEANS CLUSTERING; LEAST SQUARES APPROXIMATIONS; LINEAR REGRESSION; STATISTICAL TESTS; TOPOLOGY; TOXICITY;

EID: 71749119934     PISSN: 00456535     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.chemosphere.2009.07.072     Document Type: Article
Times cited : (34)

References (63)
  • 1
    • 0026440632 scopus 로고
    • Impact of polychlorinated dibenzo-p-dioxins, dibenzofurans, and biphenyls on human and environmental health, with special emphasis on application of the toxic equivalency factor concept
    • Ahlborg U.G., Brouwer A., Fingerhut M.A., Jacobson J.L., Jacobson S.W., Kennedy S.W., Kettrup A.A., Koeman J.H., Poiger H., and Rappe C. Impact of polychlorinated dibenzo-p-dioxins, dibenzofurans, and biphenyls on human and environmental health, with special emphasis on application of the toxic equivalency factor concept. Eur. J. Pharmacol. 228 4 (1992) 179-199
    • (1992) Eur. J. Pharmacol. , vol.228 , Issue.4 , pp. 179-199
    • Ahlborg, U.G.1    Brouwer, A.2    Fingerhut, M.A.3    Jacobson, J.L.4    Jacobson, S.W.5    Kennedy, S.W.6    Kettrup, A.A.7    Koeman, J.H.8    Poiger, H.9    Rappe, C.10
  • 4
    • 71749119052 scopus 로고    scopus 로고
    • Cerius 2 version 4.10 is a product of Accelrys Inc, San Diego, CA, 2005
    • Cerius 2 version 4.10 is a product of Accelrys Inc., San Diego, CA, 2005.
  • 5
    • 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.T.D., Walker J.D., Jaworska J.S., Comber M.H.I., Watts C.D., and Worth A.P. Use of QSARs in international decision-making frameworks to predict ecologic effects and environmental fate of chemical substances. Environ. Health Perspect. 111 10 (2003) 1376-1390
    • (2003) Environ. Health Perspect. , vol.111 , Issue.10 , pp. 1376-1390
    • Cronin, M.T.D.1    Walker, J.D.2    Jaworska, J.S.3    Comber, M.H.I.4    Watts, C.D.5    Worth, A.P.6
  • 7
    • 0036987736 scopus 로고    scopus 로고
    • Prediction of environmental toxicity and fate using quantitative structure-activity relationships (QSARs)
    • Dearden J.C. Prediction of environmental toxicity and fate using quantitative structure-activity relationships (QSARs). J. Braz. Chem. Soc. 13 6 (2002) 754-762
    • (2002) J. Braz. Chem. Soc. , vol.13 , Issue.6 , pp. 754-762
    • Dearden, J.C.1
  • 8
    • 0041527330 scopus 로고    scopus 로고
    • Quantitative structure-activity relationship (QSAR): a versatile tool in drug design
    • Ghose A.K., and Viswanadhan V.N. (Eds), Marcel Dekker, Inc., New York
    • Debnath A.K. Quantitative structure-activity relationship (QSAR): a versatile tool in drug design. In: Ghose A.K., and Viswanadhan V.N. (Eds). Combinatorial Library Design and Evaluation (2001), Marcel Dekker, Inc., New York 73-129
    • (2001) Combinatorial Library Design and Evaluation , pp. 73-129
    • Debnath, A.K.1
  • 11
    • 0001833451 scopus 로고
    • Principal component and factor analysis
    • van de Waterbeemd H. (Ed), VCH, Weinheim
    • Franke R., and Gruska PA. Principal component and factor analysis. In: van de Waterbeemd H. (Ed). Chemometric Methods in Molecular Design (1995), VCH, Weinheim 113-163
    • (1995) Chemometric Methods in Molecular Design , pp. 113-163
    • Franke, R.1    Gruska, PA.2
  • 13
    • 0003579983 scopus 로고    scopus 로고
    • A brief history of occupational, industrial and environmental toxicology
    • Greenberg M.I., Hamilton R.J., and Phillips S.D. (Eds), Mosby, Philadelphia
    • Greenburg M.I., and Phillips S.D. A brief history of occupational, industrial and environmental toxicology. In: Greenberg M.I., Hamilton R.J., and Phillips S.D. (Eds). Occupational, Industrial and Environmental Toxicology (2003), Mosby, Philadelphia 2-5
    • (2003) Occupational, Industrial and Environmental Toxicology , pp. 2-5
    • Greenburg, M.I.1    Phillips, S.D.2
  • 14
    • 0032972812 scopus 로고    scopus 로고
    • Three-dimensional quantitative structure-activity relationship of interleukin 1-beta converting enzyme inhibitors: a comparative molecular field analysis study
    • Kulkarni S.S., and Kulkarni V.M. Three-dimensional quantitative structure-activity relationship of interleukin 1-beta converting enzyme inhibitors: a comparative molecular field analysis study. J. Med. Chem. 42 (1999) 373-380
    • (1999) J. Med. Chem. , vol.42 , pp. 373-380
    • Kulkarni, S.S.1    Kulkarni, V.M.2
  • 17
    • 33645028278 scopus 로고    scopus 로고
    • On selection of training and test sets for the development of predictive QSAR models
    • Leonard J.T., and Roy K. On selection of training and test sets for the development of predictive QSAR models. QSAR Comb. Sci. 25 (2006) 235-251
    • (2006) QSAR Comb. Sci. , vol.25 , pp. 235-251
    • Leonard, J.T.1    Roy, K.2
  • 18
    • 39749088786 scopus 로고    scopus 로고
    • hERG classification model based on a combination of support vector machine method and GRIND descriptors
    • Li Q., Jørgensen F.S., Oprea T., Brunak S., and Taboureau O. hERG classification model based on a combination of support vector machine method and GRIND descriptors. Mol. Pharm. 5 1 (2008) 117-127
    • (2008) Mol. Pharm. , vol.5 , Issue.1 , pp. 117-127
    • Li, Q.1    Jørgensen, F.S.2    Oprea, T.3    Brunak, S.4    Taboureau, O.5
  • 21
    • 0142121244 scopus 로고    scopus 로고
    • A review of quantitative structure-activity relationship methods for the prediction of atmospheric oxidation of organic chemicals
    • Meylan W.M., and Howard P.H. A review of quantitative structure-activity relationship methods for the prediction of atmospheric oxidation of organic chemicals. Environ. Toxicol. Chem. 22 (2003) 1724-1732
    • (2003) Environ. Toxicol. Chem. , vol.22 , pp. 1724-1732
    • Meylan, W.M.1    Howard, P.H.2
  • 22
    • 71749109425 scopus 로고    scopus 로고
    • MiniTab is a commercial software of Minitab Inc, USA
    • MiniTab is a commercial software of Minitab Inc., USA, 2005.
    • (2005)
  • 23
    • 33645464931 scopus 로고    scopus 로고
    • Group philicity and electrophilicity as possible descriptors for modeling ecotoxicity applied to chlorophenols
    • Padmanabhan J., Parthasarathi R., Subramanian V., and Chattaraj P.K. Group philicity and electrophilicity as possible descriptors for modeling ecotoxicity applied to chlorophenols. Chem. Res. Toxicol. 19 (2006) 356-364
    • (2006) Chem. Res. Toxicol. , vol.19 , pp. 356-364
    • Padmanabhan, J.1    Parthasarathi, R.2    Subramanian, V.3    Chattaraj, P.K.4
  • 24
    • 0005215818 scopus 로고
    • Quantitative structure-property relationships with TAU indices: part I - research octane numbers of alkane fuel molecules
    • Pal D.K., Purkayastha S.K., Sengupta C., and De A.U. Quantitative structure-property relationships with TAU indices: part I - research octane numbers of alkane fuel molecules. Indian J. Chem. 31B (1992) 109-114
    • (1992) Indian J. Chem. , vol.31 B , pp. 109-114
    • Pal, D.K.1    Purkayastha, S.K.2    Sengupta, C.3    De, A.U.4
  • 25
    • 0005215819 scopus 로고
    • A new topochemical descriptor (TAU) in molecular connectivity concept: part I - aliphatic compounds
    • Pal D.K., Sengupta C., and De A.U. A new topochemical descriptor (TAU) in molecular connectivity concept: part I - aliphatic compounds. Indian J. Chem. 27B (1988) 734-739
    • (1988) Indian J. Chem. , vol.27 B , pp. 734-739
    • Pal, D.K.1    Sengupta, C.2    De, A.U.3
  • 26
    • 0024322978 scopus 로고
    • Introduction of a novel topochemical index and exploitation of group connectivity concept to achieve predictability in QSAR and RDD
    • Pal D.K., Sengupta C., and De A.U. Introduction of a novel topochemical index and exploitation of group connectivity concept to achieve predictability in QSAR and RDD. Indian J. Chem. 28B (1989) 261-267
    • (1989) Indian J. Chem. , vol.28 B , pp. 261-267
    • Pal, D.K.1    Sengupta, C.2    De, A.U.3
  • 27
    • 0025374225 scopus 로고
    • QSAR with TAU (s) indices: part I - polymethylene primary diamines as amebicidal agents
    • Pal D.K., Sengupta M., Sengupta C., and De A.U. QSAR with TAU (s) indices: part I - polymethylene primary diamines as amebicidal agents. Indian J. Chem. 29B (1990) 451-454
    • (1990) Indian J. Chem. , vol.29 B , pp. 451-454
    • Pal, D.K.1    Sengupta, M.2    Sengupta, C.3    De, A.U.4
  • 28
    • 33646472578 scopus 로고    scopus 로고
    • Ecotoxicity prediction by adaptive fuzzy partitioning: comparing descriptors computed on 2D and 3D structures
    • Piclin N., Pintore M., Wechman C., Roncaglioni A., Benfenati E., and Chretien J.R. Ecotoxicity prediction by adaptive fuzzy partitioning: comparing descriptors computed on 2D and 3D structures. SAR QSAR Environ. Res. 17 (2006) 225-251
    • (2006) SAR QSAR Environ. Res. , vol.17 , pp. 225-251
    • Piclin, N.1    Pintore, M.2    Wechman, C.3    Roncaglioni, A.4    Benfenati, E.5    Chretien, J.R.6
  • 29
    • 0036000566 scopus 로고    scopus 로고
    • Determining the mechanisms of toxic action of phenols to Tetrahymena pyriformis
    • Ren S. Determining the mechanisms of toxic action of phenols to Tetrahymena pyriformis. Environ. Toxicol. 17 (2002) 119-127
    • (2002) Environ. Toxicol. , vol.17 , pp. 119-127
    • Ren, S.1
  • 31
    • 2342636978 scopus 로고    scopus 로고
    • QSPR with TAU indices: molar thermochemical properties of diverse functional acyclic compounds
    • Roy K., Chakroborty S., Ghosh C.C., and Saha A. QSPR with TAU indices: molar thermochemical properties of diverse functional acyclic compounds. J. Indian Chem. Soc. 81 (2004) 115-125
    • (2004) J. Indian Chem. Soc. , vol.81 , pp. 115-125
    • Roy, K.1    Chakroborty, S.2    Ghosh, C.C.3    Saha, A.4
  • 32
    • 1842778639 scopus 로고    scopus 로고
    • Introduction of extended topochemical atoms (ETA) indices in the valence electron mobile (VEM) environment as tool for QSAR/QSPR studies
    • Roy, K., Ghosh, G., 2003. Introduction of extended topochemical atoms (ETA) indices in the valence electron mobile (VEM) environment as tool for QSAR/QSPR studies. Internet Electron J. Mol. Des. 2, 599-620. .
    • (2003) Internet Electron J. Mol. Des , vol.2 , pp. 599-620
    • Roy, K.1    Ghosh, G.2
  • 33
    • 1842740163 scopus 로고    scopus 로고
    • QSTR with extended topochemical atom indices: Part 2. Fish toxicity of substituted benzenes
    • Roy K., and Ghosh G. QSTR with extended topochemical atom indices: Part 2. Fish toxicity of substituted benzenes. J. Chem. Inf. Comput. Sci. 44 (2004) 559-567
    • (2004) J. Chem. Inf. Comput. Sci. , vol.44 , pp. 559-567
    • Roy, K.1    Ghosh, G.2
  • 34
    • 4744367493 scopus 로고    scopus 로고
    • QSTR with extended topochemical atom indices: Part 3. Toxicity of nitrobenzenes to Tetrahymena pyriformis
    • Roy K., and Ghosh G. QSTR with extended topochemical atom indices: Part 3. Toxicity of nitrobenzenes to Tetrahymena pyriformis. QSAR Comb. Sci. 23 (2004) 99-108
    • (2004) QSAR Comb. Sci. , vol.23 , pp. 99-108
    • Roy, K.1    Ghosh, G.2
  • 35
    • 4744372184 scopus 로고    scopus 로고
    • QSTR with extended topochemical atom indices: Part 4. Modeling of the acute toxicity of phenylsulfonyl carboxylates to Vibrio fischeri using principal component factor analysis and principal component regression analysis
    • Roy K., and Ghosh G. QSTR with extended topochemical atom indices: Part 4. Modeling of the acute toxicity of phenylsulfonyl carboxylates to Vibrio fischeri using principal component factor analysis and principal component regression analysis. QSAR Comb. Sci. 23 (2004) 526-535
    • (2004) QSAR Comb. Sci. , vol.23 , pp. 526-535
    • Roy, K.1    Ghosh, G.2
  • 36
    • 12844253788 scopus 로고    scopus 로고
    • QSTR with extended topochemical atom indices: Part 5. Modeling of the acute toxicity of phenylsulfonyl carboxylates to Vibrio fischeri using genetic function approximation
    • Roy K., and Ghosh G. QSTR with extended topochemical atom indices: Part 5. Modeling of the acute toxicity of phenylsulfonyl carboxylates to Vibrio fischeri using genetic function approximation. Bioorg. Med. Chem. 13 (2005) 1185-1194
    • (2005) Bioorg. Med. Chem. , vol.13 , pp. 1185-1194
    • Roy, K.1    Ghosh, G.2
  • 37
    • 33644772718 scopus 로고    scopus 로고
    • QSTR with extended topochemical atom (ETA) indices: Part VI. Acute toxicity of benzene derivatives to tadpoles (Rana japonica)
    • Roy K., and Ghosh G. QSTR with extended topochemical atom (ETA) indices: Part VI. Acute toxicity of benzene derivatives to tadpoles (Rana japonica). J. Mol. Model 12 (2006) 306-316
    • (2006) J. Mol. Model , vol.12 , pp. 306-316
    • Roy, K.1    Ghosh, G.2
  • 38
    • 33750412371 scopus 로고    scopus 로고
    • QSTR with extended topochemical atom (ETA) indices: Part 8. QSAR for the inhibition of substituted phenols on germination rate of Cucumis sativus using chemometric tools
    • Roy K., and Ghosh G. QSTR with extended topochemical atom (ETA) indices: Part 8. QSAR for the inhibition of substituted phenols on germination rate of Cucumis sativus using chemometric tools. QSAR Comb. Sci. 25 (2006) 846-859
    • (2006) QSAR Comb. Sci. , vol.25 , pp. 846-859
    • Roy, K.1    Ghosh, G.2
  • 39
    • 35549005726 scopus 로고    scopus 로고
    • QSTR with extended topochemical atom (ETA) indices: Part 9. Comparative QSAR for the toxicity of diverse functional organic compounds to Chlorella vulgaris using chemometric tools
    • Roy K., and Ghosh G. QSTR with extended topochemical atom (ETA) indices: Part 9. Comparative QSAR for the toxicity of diverse functional organic compounds to Chlorella vulgaris using chemometric tools. Chemosphere 70 (2007) 1-12
    • (2007) Chemosphere , vol.70 , pp. 1-12
    • Roy, K.1    Ghosh, G.2
  • 40
    • 54249167492 scopus 로고    scopus 로고
    • QSTR with extended topochemical atom indices: Part 10. Modeling of toxicity of organic chemicals to humans using different chemometric tools
    • Roy K., and Ghosh G. QSTR with extended topochemical atom indices: Part 10. Modeling of toxicity of organic chemicals to humans using different chemometric tools. Chem. Biol. Drug Des. 72 (2008) 383-394
    • (2008) Chem. Biol. Drug Des. , vol.72 , pp. 383-394
    • Roy, K.1    Ghosh, G.2
  • 41
    • 70449100468 scopus 로고    scopus 로고
    • QSTR with extended topochemical atom (ETA) indices: Part 11. Comparative QSAR of acute NSAID cytotoxicity in rat hepatocytes using chemometric tools
    • Roy K., and Ghosh G. QSTR with extended topochemical atom (ETA) indices: Part 11. Comparative QSAR of acute NSAID cytotoxicity in rat hepatocytes using chemometric tools. Mol. Simulat. 35 (2009) 648-659
    • (2009) Mol. Simulat. , vol.35 , pp. 648-659
    • Roy, K.1    Ghosh, G.2
  • 42
    • 0032885914 scopus 로고    scopus 로고
    • Comparative QSAR with molecular negentropy, molecular connectivity, STIMS and TAU indices: Part I. Tadpole narcosis of diverse functional acyclic compounds
    • Roy K., Pal D.K., De A.U., and Sengupta C. Comparative QSAR with molecular negentropy, molecular connectivity, STIMS and TAU indices: Part I. Tadpole narcosis of diverse functional acyclic compounds. Indian J. Chem. 38B (1999) 664-671
    • (1999) Indian J. Chem. , vol.38 B , pp. 664-671
    • Roy, K.1    Pal, D.K.2    De, A.U.3    Sengupta, C.4
  • 43
    • 0035047477 scopus 로고    scopus 로고
    • Comparative QSAR studies with molecular negentropy, molecular connectivity, STIMS and TAU indices. Part II: General anaesthetic activity of aliphatic hydrocarbons, halocarbons and ethers
    • Roy K., Pal D.K., De A.U., and Sengupta C. Comparative QSAR studies with molecular negentropy, molecular connectivity, STIMS and TAU indices. Part II: General anaesthetic activity of aliphatic hydrocarbons, halocarbons and ethers. Indian J. Chem. 40B (2001) 129-135
    • (2001) Indian J. Chem. , vol.40 B , pp. 129-135
    • Roy, K.1    Pal, D.K.2    De, A.U.3    Sengupta, C.4
  • 44
    • 41949116852 scopus 로고    scopus 로고
    • Exploring predictive QSAR models for hepatocyte toxicity of phenols using QTMS descriptors
    • Roy K., and Popelier P.L. Exploring predictive QSAR models for hepatocyte toxicity of phenols using QTMS descriptors. Bioorg. Med. Chem. Lett. 18 8 (2008) 2604-2609
    • (2008) Bioorg. Med. Chem. Lett. , vol.18 , Issue.8 , pp. 2604-2609
    • Roy, K.1    Popelier, P.L.2
  • 45
    • 0141907201 scopus 로고    scopus 로고
    • Comparative QSPR studies with molecular connectivity, molecular negentropy and TAU indices: Part I. Molecular thermochemical properties of diverse functional acyclic compounds
    • Roy K., and Saha A. Comparative QSPR studies with molecular connectivity, molecular negentropy and TAU indices: Part I. Molecular thermochemical properties of diverse functional acyclic compounds. J. Mol. Model 9 (2003) 259-270
    • (2003) J. Mol. Model , vol.9 , pp. 259-270
    • Roy, K.1    Saha, A.2
  • 46
    • 1842804636 scopus 로고    scopus 로고
    • Comparative QSPR studies with molecular connectivity, molecular negentropy and TAU indices: Part 2. Lipid-water partition coefficient of diverse functional acyclic compounds
    • Roy, K., Saha, A., 2003b. Comparative QSPR studies with molecular connectivity, molecular negentropy and TAU indices: Part 2. Lipid-water partition coefficient of diverse functional acyclic compounds. Internet Electron. J. Mol. Des. 2, 288-305. .
    • (2003) Internet Electron. J. Mol. Des , vol.2 , pp. 288-305
    • Roy, K.1    Saha, A.2
  • 47
    • 1842728122 scopus 로고    scopus 로고
    • QSPR with TAU indices: Water solubility of diverse functional acyclic compounds
    • Roy, K., Saha, A., 2003c. QSPR with TAU indices: water solubility of diverse functional acyclic compounds. Internet Electron. J. Mol. Des. 2, 475-491 .
    • (2003) Internet Electron. J. Mol. Des , vol.2 , pp. 475-491
    • Roy, K.1    Saha, A.2
  • 48
    • 4344616039 scopus 로고    scopus 로고
    • QSPR with TAU indices: boiling points of sulfides and thiols
    • Roy K., and Saha A. QSPR with TAU indices: boiling points of sulfides and thiols. Indian J. Chem. 43A (2004) 1369-1376
    • (2004) Indian J. Chem. , vol.43 A , pp. 1369-1376
    • Roy, K.1    Saha, A.2
  • 49
    • 28244444832 scopus 로고    scopus 로고
    • QSPR with TAU indices: boiling points of sulfides and thiols
    • Roy K., and Saha A. QSPR with TAU indices: boiling points of sulfides and thiols. Indian J. Chem. 44B (2005) 1693-1707
    • (2005) Indian J. Chem. , vol.44 B , pp. 1693-1707
    • Roy, K.1    Saha, A.2
  • 50
    • 33646863221 scopus 로고    scopus 로고
    • QSPR with TAU indices: Part 5. Liquid heat capacity of diverse functional organic compounds
    • Roy K., and Saha A. QSPR with TAU indices: Part 5. Liquid heat capacity of diverse functional organic compounds. J. Indian Chem. Soc. 83 (2006) 351-355
    • (2006) J. Indian Chem. Soc. , vol.83 , pp. 351-355
    • Roy, K.1    Saha, A.2
  • 51
    • 33646271362 scopus 로고    scopus 로고
    • QSTR with extended topochemical atom indices: Part: 7. QSAR of substituted benzenes to Saccharomyces cerevisiae
    • Roy K., and Sanyal I. QSTR with extended topochemical atom indices: Part: 7. QSAR of substituted benzenes to Saccharomyces cerevisiae. QSAR Comb. Sci. 25 (2006) 359-371
    • (2006) QSAR Comb. Sci. , vol.25 , pp. 359-371
    • Roy, K.1    Sanyal, I.2
  • 52
    • 34250640145 scopus 로고    scopus 로고
    • QSPR of n-octanol/water partition coefficient of nonionic organic compounds using extended topochemical atom (ETA) indices
    • Roy K., Sanyal I., and Ghosh G. QSPR of n-octanol/water partition coefficient of nonionic organic compounds using extended topochemical atom (ETA) indices. QSAR Comb. Sci. 25 (2006) 629-646
    • (2006) QSAR Comb. Sci. , vol.25 , pp. 629-646
    • Roy, K.1    Sanyal, I.2    Ghosh, G.3
  • 53
    • 33845429166 scopus 로고    scopus 로고
    • QSPR of the bioconcentration factors of nonionic organic compounds in fish using extended topochemical atom (ETA) indices
    • Roy K., Sanyal I., and Roy P.P. QSPR of the bioconcentration factors of nonionic organic compounds in fish using extended topochemical atom (ETA) indices. SAR QSAR Environ. Res. 17 (2006) 563-582
    • (2006) SAR QSAR Environ. Res. , vol.17 , pp. 563-582
    • Roy, K.1    Sanyal, I.2    Roy, P.P.3
  • 54
    • 41949116226 scopus 로고    scopus 로고
    • On some aspects of variable selection for partial least squares regression models
    • Roy P., and Roy K. On some aspects of variable selection for partial least squares regression models. QSAR Comb. Sci. 27 (2008) 302-313
    • (2008) QSAR Comb. Sci. , vol.27 , pp. 302-313
    • Roy, P.1    Roy, K.2
  • 55
    • 0037313552 scopus 로고    scopus 로고
    • Selection of data sets for QSARs: analyses of Tetrahymena toxicity from aromatic compounds
    • Schultz T.W., Netzeva T.I., and Cronin M.T.D. Selection of data sets for QSARs: analyses of Tetrahymena toxicity from aromatic compounds. SAR QSAR Environ. Res. 14 1 (2003) 59-81
    • (2003) SAR QSAR Environ. Res. , vol.14 , Issue.1 , pp. 59-81
    • Schultz, T.W.1    Netzeva, T.I.2    Cronin, M.T.D.3
  • 56
    • 0003633894 scopus 로고
    • Oxford & IBH Publishing Co. Pvt. Ltd, New Delhi pp. 381-418
    • Snedecor G.W., and Cochran W.G. Statistical Methods (1967), Oxford & IBH Publishing Co. Pvt. Ltd, New Delhi pp. 381-418
    • (1967) Statistical Methods
    • Snedecor, G.W.1    Cochran, W.G.2
  • 57
    • 2542479010 scopus 로고    scopus 로고
    • A novel 3D-QSAR comparative molecular field analysis (CoMFA) model of imidazole and quinazolinone functionalized p38 MAP kinase inhibitors
    • Sperandio da Silva G.M., SantLAnna C.M., and Barreiro E.J. A novel 3D-QSAR comparative molecular field analysis (CoMFA) model of imidazole and quinazolinone functionalized p38 MAP kinase inhibitors. Bioorg. Med. Chem. 12 (2004) 3159-3166
    • (2004) Bioorg. Med. Chem. , vol.12 , pp. 3159-3166
    • Sperandio da Silva, G.M.1    SantLAnna, C.M.2    Barreiro, E.J.3
  • 58
    • 71749121645 scopus 로고    scopus 로고
    • SPSS is statistical software of SPSS Inc, USA
    • SPSS is statistical software of SPSS Inc., USA, 1998.
    • (1998)
  • 59
    • 42049114874 scopus 로고    scopus 로고
    • Selection of non-dioxin-like PCBs for in vitro testing on the basis of environmental abundance and molecular structure
    • Stenberg M., and Andersson P.L. Selection of non-dioxin-like PCBs for in vitro testing on the basis of environmental abundance and molecular structure. Chemosphere 71 10 (2008) 1909-19015
    • (2008) Chemosphere , vol.71 , Issue.10 , pp. 1909-19015
    • Stenberg, M.1    Andersson, P.L.2
  • 60
    • 71749106557 scopus 로고    scopus 로고
    • Taskforce Regulatory Reform, 2000. Reform of Public Health and Safety Regulation: An Information Paper Overview of Existing Regulatory Arrangements. Canberra, Commonwealth Department of Health and Ageing.
    • Taskforce Regulatory Reform, 2000. Reform of Public Health and Safety Regulation: An Information Paper Overview of Existing Regulatory Arrangements. Canberra, Commonwealth Department of Health and Ageing.
  • 61
    • 43049147993 scopus 로고    scopus 로고
    • Additive SMILES-based optimal descriptors in QSAR modelling bee toxicity: using rare SMILES attributes to define the applicability domain
    • Toropov A.A., and Benfenati E. Additive SMILES-based optimal descriptors in QSAR modelling bee toxicity: using rare SMILES attributes to define the applicability domain. Bioorg. Med. Chem. 16 9 (2008) 4801-4809
    • (2008) Bioorg. Med. Chem. , vol.16 , Issue.9 , pp. 4801-4809
    • Toropov, A.A.1    Benfenati, E.2
  • 62
    • 0000765554 scopus 로고
    • Statistical validation of QSAR results
    • van de Waterbeemd H. (Ed), VCH, Weinheim
    • Wold S., and Eriksson L. Statistical validation of QSAR results. In: van de Waterbeemd H. (Ed). Chemometric Methods in Molecular Design (1995), VCH, Weinheim 312-317
    • (1995) Chemometric Methods in Molecular Design , pp. 312-317
    • Wold, S.1    Eriksson, L.2


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.