SAR and QSAR in Environmental Research, Volume 21, Issue 1-2 (2010)

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SAR and QSAR in Environmental Research, Volume 21, Issue 1-2 (2010)

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Original Articles

Article
Molecular modelling and docking studies on heat shock protein 90 (Hsp90) inhibitors
A.K. Saxena, S. Saxena & S.S. Chaudhaery
Pages: 1-20
Published online: 06 Apr 2010
AbstractforMolecular modelling and docking studies on heat shock protein 90 (Hsp90) inhibitors | Full Text | References | PDF (1.6 MB)
  • 411 Views
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Article
Integrating background knowledge from internet databases into predictive toxicology models
M. Edelstein, F. Buchwald, L. Richter & S. Kramer
Pages: 21-35
Published online: 06 Apr 2010
AbstractforIntegrating background knowledge from internet databases into predictive toxicology models | Full Text | References | PDF (222 KB)
  • 74 Views
  • 3 CrossRef citations
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Article
Analysis of hydrophobic interactions of antagonists with the beta2-adrenergic receptor
V.N. Novoseletsky, T.V. Pyrkov & R.G. Efremov
Pages: 37-55
Published online: 06 Apr 2010
AbstractforAnalysis of hydrophobic interactions of antagonists with the beta2-adrenergic receptor | Full Text | References | PDF (702.8 KB)
  • 194 Views
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Article
Counter propagation artificial neural network categorical models for prediction of carcinogenicity for non-congeneric chemicals
N. Fjodorova, M. Vračko, A. Jezierska & M. Novič
Pages: 57-75
Published online: 06 Apr 2010
AbstractforCounter propagation artificial neural network categorical models for prediction of carcinogenicity for non-congeneric chemicals | Full Text | References | PDF (1.3 MB) | Supplemental
  • 80 Views
  • 11 CrossRef citations
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Article
Cellular automata modelling of biomolecular networks dynamics
D. Bonchev, S. Thomas, A. Apte & L.B. Kier
Pages: 77-102
Published online: 06 Apr 2010
AbstractforCellular automata modelling of biomolecular networks dynamics | Full Text | References | PDF (1.5 MB)
  • 567 Views
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Article
Quantitative structure–activity relationship studies of antimalarial compounds from their calculated mathematical descriptors
S.C. Basak, D. Mills, D.M. Hawkins & A.K. Bhattacharjee
Pages: 103-125
Published online: 06 Apr 2010
AbstractforQuantitative structure–activity relationship studies of antimalarial compounds from their calculated mathematical descriptors | Full Text | References | PDF (1.2 MB) | Supplemental
  • 169 Views
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Article
Estimation of reliability of predictions and model applicability domain evaluation in the analysis of acute toxicity (LD50)
A. Sazonovas, P. Japertas & R. Didziapetris
Pages: 127-148
Published online: 06 Apr 2010
AbstractforEstimation of reliability of predictions and model applicability domain evaluation in the analysis of acute toxicity (LD50) | Full Text | References | PDF (704.9 KB)
  • 468 Views
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Article
QSAR with quantum topological molecular similarity indices: toxicity of aromatic aldehydes to Tetrahymena pyriformis
S. Kar, A.P. Harding, K. Roy & P.L.A. Popelier
Pages: 149-168
Published online: 06 Apr 2010
AbstractforQSAR with quantum topological molecular similarity indices: toxicity of aromatic aldehydes to Tetrahymena pyriformis | Full Text | References | PDF (425.1 KB)
  • 242 Views
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Article
Combinatorial protocol in multiple linear regression/partial least-squares directed rationale for the caspase-3 inhibition activity of isoquinoline-1,3,4-trione derivatives
B.K. Sharma, P. Pilania, P. Singh & Y.S. Prabhakar
Pages: 169-185
Published online: 06 Apr 2010
AbstractforCombinatorial protocol in multiple linear regression/partial least-squares directed rationale for the caspase-3 inhibition activity of isoquinoline-1,3,4-trione derivatives | Full Text | References | PDF (329 KB)
  • 114 Views
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Article
Mechanism-based common reactivity pattern (COREPA) modelling of aryl hydrocarbon receptor binding affinity
P.I. Petkov, J.C. Rowlands, R. Budinsky, B. Zhao, M.S. Denison & O. Mekenyan
Pages: 187-214
Published online: 06 Apr 2010
AbstractforMechanism-based common reactivity pattern (COREPA) modelling of aryl hydrocarbon receptor binding affinity | Full Text | References | PDF (1.2 MB)
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