SAR and QSAR in Environmental Research, Volume 19, Issue 3-4 (2008)

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SAR and QSAR in Environmental Research, Volume 19, Issue 3-4 (2008)

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Original Articles

Article
Prediction of drug solubility from molecular structure using a drug-like training set
J. Huuskonen, D.J. Livingstone & D.T. Manallack
Pages: 191-212
Published online: 04 Dec 2010
AbstractforPrediction of drug solubility from molecular structure using a drug-like training set | Full Text | References | PDF (162.7 KB)
  • 505 Views
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Article
Quantitative structure-affinity relationship of 5-HT1A receptor ligands by the classification tree method
V.E. Kuz’min, P.G. Polischuk, A.G. Artemenko, S.Yu. Makan & S.A. Andronati
Pages: 213-244
Published online: 04 Dec 2010
AbstractforQuantitative structure-affinity relationship of 5-HT1A receptor ligands by the classification tree method | Full Text | References | PDF (239.7 KB)
  • 55 Views
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Article
Homology modelling of the Apis mellifera nicotinic acetylcholine receptor (nAChR) and docking of imidacloprid and fipronil insecticides and their metabolites
A. Rocher & N. Marchand-Geneste
Pages: 245-261
Published online: 04 Dec 2010
AbstractforHomology modelling of the Apis mellifera nicotinic acetylcholine receptor (nAChR) and docking of imidacloprid and fipronil insecticides and their metabolites | Full Text | References | PDF (1.4 MB)
  • 388 Views
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Article
Characterisation of the chemical and biological properties of molecules with QSAR/QSPR and chemical grouping, and its application to a group of alkyl ethers
H. Niska, K. Tuppurainen, J.-P. Skön, A.K. Mallett & M. Kolehmainen
Pages: 263-284
Published online: 04 Dec 2010
AbstractforCharacterisation of the chemical and biological properties of molecules with QSAR/QSPR and chemical grouping, and its application to a group of alkyl ethers | Full Text | References | PDF (277 KB)
  • 101 Views
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Article
QSAR studies using the parashift system
D.J. Livingstone, T. Clark, M.G. Ford, B.D. Hudson & D.C. Whitley
Pages: 285-302
Published online: 04 Dec 2010
AbstractforQSAR studies using the parashift system | Full Text | References | PDF (198.2 KB)
  • 56 Views
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Article
Online resource for theoretical study of hydration of biopolymers
E.V. Sobolev, O.V. Sobolev & D.A. Tikhonov
Pages: 303-315
Published online: 04 Dec 2010
AbstractforOnline resource for theoretical study of hydration of biopolymers | Full Text | References | PDF (1.2 MB)
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Article
Representation of proteins as walks in 20-D space
M. Novič & M. Randić†
Pages: 317-337
Published online: 04 Dec 2010
AbstractforRepresentation of proteins as walks in 20-D space | Full Text | References | PDF (144.1 KB)
  • 78 Views
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Article
On novel representation of proteins based on amino acid adjacency matrix
M. Randić†, M. Novič & M. Vračko
Pages: 339-349
Published online: 04 Dec 2010
AbstractforOn novel representation of proteins based on amino acid adjacency matrix | Full Text | References | PDF (100.5 KB)
  • 116 Views
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Article
Structure-related clustering of gene expression fingerprints of thp-1 cells exposed to smaller polycyclic aromatic hydrocarbons
B. Wan, J.W. Yarbrough & T.W. Schultz
Pages: 351-373
Published online: 04 Dec 2010
AbstractforStructure-related clustering of gene expression fingerprints of thp-1 cells exposed to smaller polycyclic aromatic hydrocarbons | Full Text | References | PDF (835.1 KB)
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Article
Estimation of bioconcentration factors using molecular electro-topological state and flexibility
Y. Wang, Y. Li, J. Ding, Z. Jiang & Y. Chang
Pages: 375-395
Published online: 04 Dec 2010
AbstractforEstimation of bioconcentration factors using molecular electro-topological state and flexibility | Full Text | References | PDF (370.1 KB)
  • 125 Views
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Article
Toxmatch–a new software tool to aid in the development and evaluation of chemically similar groups
G. Patlewicz, N. Jeliazkova, A. Gallegos Saliner & A.P. Worth
Pages: 397-412
Published online: 04 Dec 2010
AbstractforToxmatch–a new software tool to aid in the development and evaluation of chemically similar groups | Full Text | References | PDF (1.6 MB)
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