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Volume 16, Issue 1-2

SAR and QSAR in Environmental Research

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SAR and QSAR in Environmental Research, Volume 16, Issue 1-2 (2005)

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SAR and QSAR in Environmental Research, Volume 16, Issue 1-2 (2005)

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11th International Workshop on Quantitative Structure–Activity Relationships in the Human Health and Environmental Sciences, Part 2

Original Articles

Article

In silico modelling of ADMET—a minireview of work from 2000 to 2004

U. Norinder

Pages: 1-11

Published online: 01 Feb 2007

AbstractforIn silico modelling of ADMET—a minireview of work from 2000 to 2004 | Full Text | References | PDF (267.5 KB)

118 Views
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Article

QSAR Modeling Based on Structure-Information for Properties of Interest in Human Health

L.H. Hall & L.M. Hall

Pages: 13-41

Published online: 01 Feb 2007

AbstractforQSAR Modeling Based on Structure-Information for Properties of Interest in Human Health | Full Text | References | PDF (372.6 KB)

135 Views
25 CrossRef citations
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Article

Structure-Based Methods for the Prediction of the Dominant P450 Enzyme in Human Drug Biotransformation: Consideration of CYP3A4, CYP2C9, CYP2D6

N. Manga, J.C. Duffy, P.H. Rowe & M.T.D. Cronin

Pages: 43-61

Published online: 01 Feb 2007

AbstractforStructure-Based Methods for the Prediction of the Dominant P450 Enzyme in Human Drug Biotransformation: Consideration of CYP3A4, CYP2C9, CYP2D6 | Full Text | References | PDF (147.3 KB)

147 Views
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Article

A Spreadsheet Program for Modeling Quantitative Structure-Pharmacokinetic Relationships for Inhaled Volatile Organics in Humans

M. Béliveau & K. Krishnan

Pages: 63-77

Published online: 01 Feb 2007

AbstractforA Spreadsheet Program for Modeling Quantitative Structure-Pharmacokinetic Relationships for Inhaled Volatile Organics in Humans | Full Text | References | PDF (621.3 KB)

161 Views
16 CrossRef citations
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Article

3D QSAR investigation of the blood–brain barrier penetration of chemical compounds

I. Lessigiarska, I. Pajeva, M.T.D. Cronin & A.P. Worth

Pages: 79-91

Published online: 01 Feb 2007

Abstractfor3D QSAR investigation of the blood–brain barrier penetration of chemical compounds | Full Text | References | PDF (181.1 KB)

129 Views
5 CrossRef citations
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Article

QSAR Modeling of Datasets with Enantioselective Compounds using Chirality Sensitive Molecular Descriptors

A. Kovatcheva, A. Golbraikh, S. Oloff, J. Feng, W. Zheng & A. Tropsha

Pages: 93-102

Published online: 01 Feb 2007

AbstractforQSAR Modeling of Datasets with Enantioselective Compounds using Chirality Sensitive Molecular Descriptors | Full Text | References | PDF (97.4 KB)

189 Views
31 CrossRef citations
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Article

POPs: A QSAR System for Developing Categories for Persistent, Bioacculative and Toxic Chemicals and their Metabolites

O.G. Mekenyan, S.D. Dimitrov, T.S. Pavlov & G.D. Veith

Pages: 103-133

Published online: 01 Feb 2007

AbstractforPOPs: A QSAR System for Developing Categories for Persistent, Bioacculative and Toxic Chemicals and their Metabolites | Full Text | References | PDF (791.7 KB)

220 Views
14 CrossRef citations
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Article

External validation of EPIWIN biodegradation models

R. Posthumus, T.P. Traas, W.J.G.M. Peijnenburg & E.M. Hulzebos

Pages: 135-148

Published online: 01 Feb 2007

AbstractforExternal validation of EPIWIN biodegradation models | Full Text | References | PDF (113.2 KB)

271 Views
22 CrossRef citations
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Article

In silico prediction of receptor-mediated environmental toxic phenomena—application to endocrine disruption

M.A. Lill, M. Dobler & A. Vedani

Pages: 149-169

Published online: 01 Feb 2007

AbstractforIn silico prediction of receptor-mediated environmental toxic phenomena—application to endocrine disruption | Full Text | References | PDF (612.7 KB)

136 Views
13 CrossRef citations
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Article

The Impact of variable selection on the modelling of oestrogenicity

T. Ghafourian & M.T.D. Cronin

Pages: 171-190

Published online: 01 Feb 2007

AbstractforThe Impact of variable selection on the modelling of oestrogenicity | Full Text | References | PDF (156.5 KB)

114 Views
50 CrossRef citations
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Article

QSPR analysis of the partitioning of vaporous chemicals in a water–gas phase system and the water solubility of liquid and solid chemicals on the basis of fragment and physicochemical similarity and HYBOT descriptors

O. Raevsky, E. Andreeva, O. Raevskaja, V. Skvortsov & K. Schaper

Pages: 191-202

Published online: 01 Feb 2007

AbstractforQSPR analysis of the partitioning of vaporous chemicals in a water–gas phase system and the water solubility of liquid and solid chemicals on the basis of fragment and physicochemical similarity and HYBOT descriptors | Full Text | References | PDF (122.3 KB)

39 Views
6 CrossRef citations
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SAR and QSAR in Environmental Research (Vol.16, Iss.1-2, 2005)

11th International Workshop on Quantitative Structure–Activity Relationships in the Human Health and Environmental Sciences, Part 2

11th International Workshop on Quantitative Structure–Activity Relationships in the Human Health and Environmental Sciences, Part 2

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