SAR and QSAR in Environmental Research, Volume 23, Issue 5-6 (2012)

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SAR and QSAR in Environmental Research, Volume 23, Issue 5-6 (2012)

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Original Articles

Article
Simulation of chemical metabolism for fate and hazard assessment. IV. Computer-based derivation of metabolic simulators from documented metabolism maps
S. Karabunarliev, S. Dimitrov, T. Pavlov, D. Nedelcheva & O. Mekenyan
Pages: 371-387
Published online: 07 Mar 2012
AbstractforSimulation of chemical metabolism for fate and hazard assessment. IV. Computer-based derivation of metabolic simulators from documented metabolism maps | Full Text | References | PDF (340.9 KB) | Supplemental
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Article
Hierarchical virtual screening: identification of potential high-affinity and selective β3-adrenergic receptor agonists
A.K. Saxena & K.K. Roy
Pages: 389-407
Published online: 27 Mar 2012
AbstractforHierarchical virtual screening: identification of potential high-affinity and selective β3-adrenergic receptor agonists | Full Text | References | PDF (2.5 MB)
  • 206 Views
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Article
4D-QSAR study of HEPT derivatives by electron conformational–genetic algorithm method
L. Akyüz, E. Sarıpınar, E. Kaya & E. Yanmaz
Pages: 409-433
Published online: 27 Mar 2012
Abstractfor4D-QSAR study of HEPT derivatives by electron conformational–genetic algorithm method | Full Text | References | PDF (955.9 KB)
  • 182 Views
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Article
Assessing toxicological data quality: basic principles, existing schemes and current limitations
K.R. Przybylak, J.C. Madden, M.T.D. Cronin & M. Hewitt
Pages: 435-459
Published online: 16 Apr 2012
AbstractforAssessing toxicological data quality: basic principles, existing schemes and current limitations | Full Text | References | PDF (261.3 KB) | Supplemental
  • 483 Views
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Article
The use of Bayesian nonlinear regression techniques for the modelling of the retention behaviour of volatile components of Artemisia species
M. Jalali-Heravi, A. Mani-Varnosfaderani, D. Taherinia & M.M. Mahmoodi
Pages: 461-483
Published online: 28 Mar 2012
AbstractforThe use of Bayesian nonlinear regression techniques for the modelling of the retention behaviour of volatile components of Artemisia species | Full Text | References | PDF (1.1 MB)
  • 97 Views
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Article
PXR ligand classification model with SFED-weighted WHIM and CoMMA descriptors
S.L. Ma, J.Y. Joung, S. Lee, K.H. Cho & K.T. No
Pages: 485-504
Published online: 16 May 2012
AbstractforPXR ligand classification model with SFED-weighted WHIM and CoMMA descriptors | Full Text | References | PDF (742.8 KB) | Supplemental
  • 174 Views
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Article
Quantitative structure–activity relationship analysis of human neutrophil elastase inhibitors using shuffling classification and regression trees and adaptive neuro-fuzzy inference systems
M. Asadollahi-Baboli
Pages: 505-520
Published online: 27 Mar 2012
AbstractforQuantitative structure–activity relationship analysis of human neutrophil elastase inhibitors using shuffling classification and regression trees and adaptive neuro-fuzzy inference systems | Full Text | References | PDF (319.4 KB)
  • 130 Views
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Article
Analysis of van der Waals surface area properties for human ether-a-go-go-related gene blocking activity: computational study on structurally diverse compounds
N.S.H.N Moorthy, M.J. Ramos & P.A. Fernandes
Pages: 521-536
Published online: 27 Mar 2012
AbstractforAnalysis of van der Waals surface area properties for human ether-a-go-go-related gene blocking activity: computational study on structurally diverse compounds | Full Text | References | PDF (1.3 MB) | Supplemental
  • 158 Views
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Article
Comparison of Tetrahymena pyriformis toxicity based on hydrophobicity, polarity, ionization and reactivity of class-based compounds
L. Su, L. Fu, J. He, W. Qin, L. Sheng, M.H. Abraham & Y.H. Zhao
Pages: 537-552
Published online: 30 Mar 2012
AbstractforComparison of Tetrahymena pyriformis toxicity based on hydrophobicity, polarity, ionization and reactivity of class-based compounds | Full Text | References | PDF (327.7 KB) | Supplemental
  • 192 Views
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Article
Simulation of chemical metabolism for fate and hazard assessment. V. Mammalian hazard assessment
O. Mekenyan, S. Dimitrov, T. Pavlov, G. Dimitrova, M. Todorov, P. Petkov & S. Kotov
Pages: 553-606
Published online: 27 Apr 2012
AbstractforSimulation of chemical metabolism for fate and hazard assessment. V. Mammalian hazard assessment | Full Text | References | PDF (1.1 MB)
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