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SAR and QSAR in Environmental Research
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Volume 25, Issue 6

SAR and QSAR in Environmental Research

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Cover image for SAR and QSAR in Environmental Research, Volume 25, Issue 6, 2014

SAR and QSAR in Environmental Research, Volume 25, Issue 6 (2014)

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SAR and QSAR in Environmental Research, Volume 25, Issue 6 (2014)

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Article

Comparison of criteria used to access carcinogenicity in CPANN QSAR models versus the knowledge-based expert system Toxtree

N. Fjodorova & M. Novič

Pages: 423-441

Published online: 09 Apr 2014

AbstractforComparison of criteria used to access carcinogenicity in CPANN QSAR models versus the knowledge-based expert system Toxtree | Full Text | References | PDF (836.7 KB) | Supplemental

152 Views
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Article

Some solved and unsolved problems of chemoinformatics

Pages: 443-455

Published online: 09 Apr 2014

AbstractforSome solved and unsolved problems of chemoinformatics | Full Text | References | PDF (257.9 KB)

213 Views
6 CrossRef citations
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Article

Computer-aided design and discovery of protein–protein interaction inhibitors as agents for anti-HIV therapy

A.V. Veselovsky, M.S. Zharkova, V.V. Poroikov & M.C. Nicklaus

Pages: 457-471

Published online: 09 Apr 2014

AbstractforComputer-aided design and discovery of protein–protein interaction inhibitors as agents for anti-HIV therapy | Full Text | References | PDF (366.5 KB)

292 Views
11 CrossRef citations
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Article

Rational design of InhA inhibitors in the class of diphenyl ether derivatives as potential anti-tubercular agents using molecular dynamics simulations

P. Kamsri, N. Koohatammakun, A. Srisupan, P. Meewong, A. Punkvang, P. Saparpakorn, S. Hannongbua, P. Wolschann, S. Prueksaaroon, U. Leartsakulpanich & P. Pungpo

Pages: 473-488

Published online: 30 Apr 2014

AbstractforRational design of InhA inhibitors in the class of diphenyl ether derivatives as potential anti-tubercular agents using molecular dynamics simulations | Full Text | References | PDF (535.9 KB)

202 Views
9 CrossRef citations
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Article

Structure–activity relationship models for rat carcinogenesis and assessing the role mutagens play in model predictivity

C.A. Carrasquer, K. Batey, S. Qamar, A.R. Cunningham & S.L. Cunningham

Pages: 489-506

Published online: 04 Apr 2014

AbstractforStructure–activity relationship models for rat carcinogenesis and assessing the role mutagens play in model predictivity | Full Text | References | PDF (178.2 KB)

91 Views
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Article

QSPR modelling of dielectric constants of π-conjugated organic compounds by means of the CORAL software

Pages: 507-526

Published online: 09 Apr 2014

AbstractforQSPR modelling of dielectric constants of π-conjugated organic compounds by means of the CORAL software | Full Text | References | PDF (439.5 KB) | Supplemental

191 Views
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