SAR and QSAR in Environmental Research, Volume 28, Issue 10 (2017)

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SAR and QSAR in Environmental Research, Volume 28, Issue 10 (2017)

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Special Issue: 9th International Symposium on Computational Methods in Toxicology and Pharmacology Integrating Internet Resources (CMTPI-2017) - Part 1. Guest Editors: A.K. Saxena and M. Saxena

Special Issue: 9th International Symposium on Computational Methods in Toxicology and Pharmacology Integrating Internet Resources (CMTPI-2017) - Part 1. Guest Editors: A.K. Saxena and M. Saxena

Article
Molecular modelling studies in explaining the higher GPVI antagonistic activity of the racemic 2-(4-methoxyphenylsulfonyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxamide than its enantiomers
S. S. Bhunia & A. K. Saxena
Pages: 783-799
Published online: 14 Nov 2017
AbstractforMolecular modelling studies in explaining the higher GPVI antagonistic activity of the racemic 2-(4-methoxyphenylsulfonyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxamide than its enantiomers | Full Text | References | PDF (2.6 MB) | Supplemental
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Article
Grouping of CoMPARA data with respect to compounds from the carcinogenic potency database
M. Vračko & V. Drgan
Pages: 801-813
Published online: 20 Nov 2017
AbstractforGrouping of CoMPARA data with respect to compounds from the carcinogenic potency database | Full Text | References | PDF (1.3 MB) | Supplemental
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Article
A QSAR and molecular modelling study towards new lead finding: polypharmacological approach to Mycobacterium tuberculosis
S. Janardhan, L. John, M. Prasanthi, V. Poroikov & G. Narahari Sastry
Pages: 815-832
Published online: 29 Nov 2017
AbstractforA QSAR and molecular modelling study towards new lead finding: polypharmacological approach to Mycobacterium tuberculosis | Full Text | References | PDF (7.3 MB) | Supplemental
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Article
Prediction of metabolites of epoxidation reaction in MetaTox
A. V. Rudik, A. V. Dmitriev, V. M. Bezhentsev, A. A. Lagunin, D. A. Filimonov & V. V. Poroikov
Pages: 833-842
Published online: 20 Nov 2017
AbstractforPrediction of metabolites of epoxidation reaction in MetaTox | Full Text | References | PDF (926.7 KB)
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Article
How good are publicly available web services that predict bioactivity profiles for drug repurposing?
K. A. Murtazalieva, D. S. Druzhilovskiy, R. K. Goel, G. N. Sastry & V. V. Poroikov
Pages: 843-862
Published online: 29 Nov 2017
AbstractforHow good are publicly available web services that predict bioactivity profiles for drug repurposing? | Full Text | References | PDF (1.4 MB) | Supplemental
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Article
In silico prediction of multiple-category classification model for cytochrome P450 inhibitors and non-inhibitors using machine-learning method
J. H. Lee, S. Basith, M. Cui, B. Kim & S. Choi
Pages: 863-874
Published online: 29 Nov 2017
AbstractforIn silico prediction of multiple-category classification model for cytochrome P450 inhibitors and non-inhibitors using machine-learning method | Full Text | References | PDF (3.2 MB)
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