SAR and QSAR in Environmental Research, Volume 32, Issue 6 (2021)

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SAR and QSAR in Environmental Research, Volume 32, Issue 6 (2021)

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Research Article

Article
Computational study on subfamilies of piperidine derivatives: QSAR modelling, model external verification, the inter-subset similarity determination, and structure-based drug designing
F. Sadeghi, A. Afkhami, T. Madrakian & R. Ghavami
Pages: 433-462
Published online: 07 May 2021
AbstractforComputational study on subfamilies of piperidine derivatives: QSAR modelling, model external verification, the inter-subset similarity determination, and structure-based drug designing | Full Text | References | PDF (5 MB) | EPUB | Supplemental
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Article
The Monte Carlo method to build up models of the hydrolysis half-lives of organic compounds
A.A. Toropov, A.P. Toropova, A. Lombardo, A. Roncaglioni, G.J. Lavado & E. Benfenati
Pages: 463-471
Published online: 26 Apr 2021
AbstractforThe Monte Carlo method to build up models of the hydrolysis half-lives of organic compounds | Full Text | References | PDF (829.8 KB) | EPUB | Supplemental
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Article
Robust classification-based molecular modelling of diverse chemical entities as potential SARS-CoV-2 3CLpro inhibitors: theoretical justification in light of experimental evidences
N. Adhikari, S. Banerjee, S.K. Baidya, B. Ghosh & T. Jha
Pages: 473-493
Published online: 20 May 2021
AbstractforRobust classification-based molecular modelling of diverse chemical entities as potential SARS-CoV-2 3CLpro inhibitors: theoretical justification in light of experimental evidences | Full Text | References | PDF (6.5 MB) | EPUB | Supplemental
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Article
The index of ideality of correlation: QSAR studies of hepatitis C virus NS3/4A protease inhibitors using SMILES descriptors
T. Ghiasi, S. Ahmadi, E. Ahmadi, M.R. Talei Bavil Olyai & Z. Khodadadi
Pages: 495-520
Published online: 02 Jun 2021
AbstractforThe index of ideality of correlation: QSAR studies of hepatitis C virus NS3/4A protease inhibitors using SMILES descriptors | Full Text | References | PDF (3.7 MB) | EPUB | Supplemental
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