SAR and QSAR in Environmental Research, Volume 22, Issue 5-6 (2011)

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SAR and QSAR in Environmental Research, Volume 22, Issue 5-6 (2011)

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Original Articles

Article
Structural investigations of anthranilimide derivatives by CoMFA and CoMSIA 3D-QSAR studies reveal novel insight into their structures toward glycogen phosphorylase inhibition
U. Saqib, B. Kumar & M.I. Siddiqi
Pages: 411-449
Published online: 23 May 2011
AbstractforStructural investigations of anthranilimide derivatives by CoMFA and CoMSIA 3D-QSAR studies reveal novel insight into their structures toward glycogen phosphorylase inhibition | Full Text | References | PDF (1.8 MB)
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Article
On some novel extended topochemical atom (ETA) parameters for effective encoding of chemical information and modelling of fundamental physicochemical properties
K. Roy & R.N. Das
Pages: 451-472
Published online: 18 May 2011
AbstractforOn some novel extended topochemical atom (ETA) parameters for effective encoding of chemical information and modelling of fundamental physicochemical properties | Full Text | References | PDF (439.2 KB) | Supplemental
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Article
CoMFA and CoMSIA analysis of tetrahydroquinolines as potential antimalarial agents
S. Deshpande, S. Jaiswal, S.B. Katti & Y.S. Prabhakar
Pages: 473-488
Published online: 18 May 2011
AbstractforCoMFA and CoMSIA analysis of tetrahydroquinolines as potential antimalarial agents | Full Text | References | PDF (1.4 MB) | Supplemental
  • 141 Views
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Article
QSPR for predicting chloroform formation in drinking water disinfection
G.B. Luilo & S.E. Cabaniss
Pages: 489-504
Published online: 30 Jun 2011
AbstractforQSPR for predicting chloroform formation in drinking water disinfection | Full Text | References | PDF (351.8 KB) | Supplemental
  • 185 Views
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Article
Application of chemical reaction mechanistic domains to an ecotoxicity QSAR model, the KAshinhou Tool for Ecotoxicity (KATE)
A. Furuhama, K. Hasunuma, Y. Aoki, Y. Yoshioka & H. Shiraishi
Pages: 505-523
Published online: 20 May 2011
AbstractforApplication of chemical reaction mechanistic domains to an ecotoxicity QSAR model, the KAshinhou Tool for Ecotoxicity (KATE) | Full Text | References | PDF (321.5 KB)
  • 225 Views
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Article
New QSAR prediction models derived from GPCR CB2-antagonistic triaryl bis-sulfone analogues by a combined molecular morphological and pharmacophoric approach
J.-Z. Chen, K.-Z. Myint & X.-Q. Xie
Pages: 525-544
Published online: 30 Jun 2011
AbstractforNew QSAR prediction models derived from GPCR CB2-antagonistic triaryl bis-sulfone analogues by a combined molecular morphological and pharmacophoric approach | Full Text | References | PDF (739.5 KB)
  • 151 Views
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Article
Internal and external validation of the long-term QSARs for neutral organics to fish from ECOSAR™
E.M. de Haas, T. Eikelboom & T. Bouwman
Pages: 545-559
Published online: 07 Jul 2011
AbstractforInternal and external validation of the long-term QSARs for neutral organics to fish from ECOSAR™ | Full Text | References | PDF (344.4 KB)
  • 342 Views
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Article
QSAR studies on the depuration rates of polycyclic aromatic hydrocarbons, polybrominated diphenyl ethers and polychlorinated biphenyls in mussels (Elliptio complanata)
F. Li, X. Liu, L. Zhang, L. You, H. Wu, X. Li, J. Zhao & J. Yu
Pages: 561-573
Published online: 07 Jul 2011
AbstractforQSAR studies on the depuration rates of polycyclic aromatic hydrocarbons, polybrominated diphenyl ethers and polychlorinated biphenyls in mussels (Elliptio complanata) | Full Text | References | PDF (234.2 KB) | Supplemental
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Article
QSAR analysis of the toxicity of nitroaromatics in Tetrahymena pyriformis: structural factors and possible modes of action
A.G. Artemenko, E.N. Muratov, V.E. Kuz’min, N.N. Muratov, E.V. Varlamova, A.V. Kuz’mina, L.G. Gorb, A. Golius, F.C. Hill, J. Leszczynski & A. Tropsha
Pages: 575-601
Published online: 30 Jun 2011
AbstractforQSAR analysis of the toxicity of nitroaromatics in Tetrahymena pyriformis: structural factors and possible modes of action | Full Text | References | PDF (1.1 MB)
  • 333 Views
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Article
ChemT, an open-source software for building template-based chemical libraries
R.M.V. Abreu, H.J.C. Froufe, P.O.M. Daniel, M.J.R.P. Queiroz & I.C.F.R. Ferreira
Pages: 603-610
Published online: 17 Aug 2011
AbstractforChemT, an open-source software for building template-based chemical libraries | Full Text | References | PDF (325.1 KB)
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Article
A descriptor of amino acids: SVRG and its application to peptide quantitative structure–activity relationship
J. Tong, T. Che, Y. Li, P. Wang, X. Xu & Y. Chen
Pages: 611-620
Published online: 10 Aug 2011
AbstractforA descriptor of amino acids: SVRG and its application to peptide quantitative structure–activity relationship | Full Text | References | PDF (212.3 KB) | Supplemental
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Article
Repeatability analysis of the Tetrahymena pyriformis population growth impairment assay
M. Hewitt, M.T.D. Cronin, P.H. Rowe & T.W. Schultz
Pages: 621-637
Published online: 10 Aug 2011
AbstractforRepeatability analysis of the Tetrahymena pyriformis population growth impairment assay | Full Text | References | PDF (344.7 KB) | Supplemental
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