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SAR and QSAR in Environmental Research Volume 33, 2022 - Issue 9
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Research Article

Identifications of good and bad structural fragments of hydrazone/2,5-disubstituted-1,3,4-oxadiazole hybrids with correlation intensity index and consensus modelling using Monte Carlo based QSAR studies, their molecular docking and ADME analysis

P. Kumara Department of Chemistry, Kurukshetra University, Kurukshetra, IndiaCorrespondence[email protected]
ORCID Iconhttps://orcid.org/0000-0002-2635-6465View further author information
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R. Singha Department of Chemistry, Kurukshetra University, Kurukshetra, IndiaView further author information
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A. Kumarb Department of Pharmaceutical Sciences, GJUS&T, Hisar, IndiaCorrespondence[email protected]
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A.P. Toropovac Department of Environmental Health Science, Istituto di Ricerche Farmacologiche Mario Negri IRCCS, Milano, ItalyORCID Iconhttps://orcid.org/0000-0002-4194-9963View further author information
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A.A. Toropovc Department of Environmental Health Science, Istituto di Ricerche Farmacologiche Mario Negri IRCCS, Milano, ItalyORCID Iconhttps://orcid.org/0000-0001-6864-6340View further author information
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M. Devia Department of Chemistry, Kurukshetra University, Kurukshetra, IndiaView further author information
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S. Lala Department of Chemistry, Kurukshetra University, Kurukshetra, IndiaView further author information
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J. Sindhud Department of Chemistry, COBS&H, CCS Haryana Agricultural University, Hisar, IndiaView further author information
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D. Singhe Department of Chemistry, Maharshi Dayanand University, Rohtak, IndiaORCID Iconhttps://orcid.org/0000-0002-2180-5049View further author information
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Pages 677-700 | Received 14 Jun 2022, Accepted 25 Aug 2022, Published online: 12 Sep 2022

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Garima, S. Sharma, J. Sindhu & P. Kumar. (2023) QSAR study of tetrahydropteridin derivatives as polo-like kinase 1(PLK1) Inhibitors with molecular docking and dynamics study. SAR and QSAR in Environmental Research 34:2, pages 91-116.
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Articles from other publishers (2)

Parvin Kumar, Ashwani Kumar, Jayant Sindhu & Sohan Lal. (2023) Quasi-SMILES as a basis for the development of QSPR models to predict the CO2 capture capacity of deep eutectic solvents using correlation intensity index and consensus modelling. Fuel 345, pages 128237.
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Rahul Singh, Parvin Kumar, Jayant Sindhu, Meena Devi, Ashwani Kumar, Sohan Lal & Devender Singh. (2023) Parsing structural fragments of thiazolidin-4-one based α-amylase inhibitors: A combined approach employing in vitro colorimetric screening and GA-MLR based QSAR modelling supported by molecular docking, molecular dynamics simulation and ADMET studies. Computers in Biology and Medicine 157, pages 106776.
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