SAR and QSAR in Environmental Research, Volume 32, Issue 4 (2021)

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SAR and QSAR in Environmental Research, Volume 32, Issue 4 (2021)

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Research Article

Article
Sample-size dependence of validation parameters in linear regression models and in QSAR
D. Kovács, P. Király & G. Tóth
Pages: 247-268
Published online: 22 Mar 2021
AbstractforSample-size dependence of validation parameters in linear regression models and in QSAR | Full Text | References | PDF (3.1 MB) | EPUB | Supplemental
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Article
9-Arylimino noscapinoids as potent tubulin binding anticancer agent: chemical synthesis and cellular evaluation against breast tumour cells
A.K. Patel, R.K. Meher, P.K. Nagireddy, P. Pragyandipta, R.K. Pedapati, S. Kantevari & P.K. Naik
Pages: 269-291
Published online: 09 Mar 2021
Abstractfor9-Arylimino noscapinoids as potent tubulin binding anticancer agent: chemical synthesis and cellular evaluation against breast tumour cells | Full Text | References | PDF (7.1 MB) | EPUB | Supplemental
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Article
Molecular mechanisms of inhibitor bindings to A-FABP deciphered by using molecular dynamics simulations and calculations of MM-GBSA
Y.Y. Yin, J. Zhao, L.L. Zhang, X.Y. Xu & J.Q. Liu
Pages: 293-315
Published online: 03 Mar 2021
AbstractforMolecular mechanisms of inhibitor bindings to A-FABP deciphered by using molecular dynamics simulations and calculations of MM-GBSA | Full Text | References | PDF (8.4 MB) | EPUB
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Article
iORI-ENST: identifying origin of replication sites based on elastic net and stacking learning
Y. Yao, S. Zhang & Y. Liang
Pages: 317-331
Published online: 18 Mar 2021
AbstractforiORI-ENST: identifying origin of replication sites based on elastic net and stacking learning | Full Text | References | PDF (731.8 KB) | EPUB
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Article
In silico guided design of non-covalent inhibitors of DprE1: synthesis and biological evaluation
H. Verma, S. Choudhary, M. Kumar & O. Silakari
Pages: 333-352
Published online: 31 Mar 2021
AbstractforIn silico guided design of non-covalent inhibitors of DprE1: synthesis and biological evaluation | Full Text | References | PDF (6.2 MB) | EPUB | Supplemental
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