SAR and QSAR in Environmental Research, Volume 34, Issue 9 (2023)

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SAR and QSAR in Environmental Research, Volume 34, Issue 9 (2023)

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Research Article

Article
Exploring the Traditional Chinese Medicine (TCM) database chemical space to target I7L protease from monkeypox virus using molecular screening and simulation approaches
A. Khan, M. Shahab, F. Nasir, Y. Waheed, A. Alshammari, A. Mohammad, G. Zichen, R. Li & D.Q. Wei
Pages: 689-708
Published online: 07 Sep 2023
AbstractforExploring the Traditional Chinese Medicine (TCM) database chemical space to target I7L protease from monkeypox virus using molecular screening and simulation approaches | Full Text | References | PDF (6.4 MB) | EPUB | Supplemental
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Article
Discovery of dual-target natural antimalarial agents against DHODH and PMT of Plasmodium falciparum: pharmacophore modelling, molecular docking, quantum mechanics, and molecular dynamics simulations
E.M. Elamin, S.E. Eshage, S.M. Mohmmode, R.M. Mukhtar, M. Mahjoub, E. Sadelin, T.H. Shoaib, A. Edris, E.M. Elshamly, A.A. Makki, A. Ashour, A.E. Sherif, W. Osman, S.R.M. Ibrahim, G.A. Mohamed & A.A. Alzain
Pages: 709-728
Published online: 04 Sep 2023
AbstractforDiscovery of dual-target natural antimalarial agents against DHODH and PMT of Plasmodium falciparum: pharmacophore modelling, molecular docking, quantum mechanics, and molecular dynamics simulations | Full Text | References | PDF (5.5 MB) | EPUB | Supplemental
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Article
Optimal selection of learning data for highly accurate QSAR prediction of chemical biodegradability: a machine learning-based approach
K. Takeda, K. Takeuchi, Y. Sakuratani & K. Kimbara
Pages: 729-743
Published online: 07 Sep 2023
AbstractforOptimal selection of learning data for highly accurate QSAR prediction of chemical biodegradability: a machine learning-based approach | Full Text | References | PDF (5.3 MB) | EPUB | Supplemental
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Review Article

Review Article
QSPR models to predict the physical hazards of mixtures: a state of art
G. Fayet & P. Rotureau
Pages: 745-764
Published online: 14 Sep 2023
AbstractforQSPR models to predict the physical hazards of mixtures: a state of art | Full Text | References | PDF (2.3 MB) | EPUB | Supplemental
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