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10.1016/j.chemolab.2020.104172 http://scihub22266oqcxt.onion/10.1016/j.chemolab.2020.104172 33518858!7833253!33518858     free     free     free Deprecated: Implicit conversion from float 211.6 to int loses precision in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 534 Deprecated: Implicit conversion from float 211.6 to int loses precision in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 534 Deprecated: Implicit conversion from float 211.6 to int loses precision in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 534 Deprecated: Implicit conversion from float 211.6 to int loses precision in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 534 Deprecated: Implicit conversion from float 211.6 to int loses precision in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 534 Deprecated: Implicit conversion from float 245.2 to int loses precision in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 534 Deprecated: Implicit conversion from float 245.2 to int loses precision in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 534       Chemometr+Intell+Lab+Syst 2020 ; 206 (ä): 104172 Nephropedia Template TP {{tp|p=33518858|t=2020. Structure features of peptide-type SARS-CoV main protease inhibitors: Quantitative structure activity relationship study |pdf=|usr=}}{{33518858}} gab.com Text Structure features of peptide-type SARS-CoV main protease inhibitors: Quantitative structure activity relationship study JO: Chemometr Intell Lab Syst http://www.kidney.de/pget.php?&tw=1&pmid=33518858 #FOAvip In the present work, an extensive QSAR (Quantitative Structure Activity Relationships) analysis of a series of peptide-type SARS-CoV main protease (MPro) inhibitors following the OECD guidelines has been accomplished. The analysis was aimed to identify salient and concealed structural features that govern the MPro inhibitory activity of peptide-type compounds. The QSAR analysis is based on a dataset of sixty-two peptide-type compounds which resulted in the generation of statistically robust and highly predictive multiple models. All the developed models were validated extensively and satisfy the threshold values for many statistical parameters (for e.g. R(2) ?= ?0.80-0.82, Q(2) (loo) ?= ?0.74-0.77, Q (2) (LMO) ?= ?0.66-0.67). The developed QSAR models identified number of sp(2) hybridized Oxygen atoms within seven bonds from aromatic Carbon atoms, the presence of Carbon and Nitrogen atoms at a topological distance of 3 and other interrelations of atom pairs as important pharmacophoric features. Hence, the present QSAR models have a good balance of Qualitative (Descriptive QSARs) and Quantitative (Predictive QSARs) approaches, therefore useful for future modifications of peptide-type compounds for anti- SARS-CoV activity. Twit Text FOAVip Structure features of peptide-type SARS-CoV main protease inhibitors: Quantitative structure activity relationship study ????Chemometr Intell Lab Syst http://www.kidney.de/pget.php?&tw=1&pmid=33518858 #FOAvip Twit Text # Free Paper on # # # # # LINK http://www.kidney.de/pget.php?&tw=1&pmid=33518858 #FOAvip English Wikipedia <ref>{{Cite pmid|33518858}}</ref> Structure features of peptide-type SARS-CoV main protease inhibitors: Quantitative structure activity relationship study #MMPMID33518858 Masand VH; Akasapu S; Gandhi A; Rastija V; Patil MK Chemometr Intell Lab Syst 2020[Nov]; 206 (ä): 104172 PMID33518858show ga In the present work, an extensive QSAR (Quantitative Structure Activity Relationships) analysis of a series of peptide-type SARS-CoV main protease (MPro) inhibitors following the OECD guidelines has been accomplished. The analysis was aimed to identify salient and concealed structural features that govern the MPro inhibitory activity of peptide-type compounds. The QSAR analysis is based on a dataset of sixty-two peptide-type compounds which resulted in the generation of statistically robust and highly predictive multiple models. All the developed models were validated extensively and satisfy the threshold values for many statistical parameters (for e.g. R(2) ?= ?0.80-0.82, Q(2) (loo) ?= ?0.74-0.77, Q (2) (LMO) ?= ?0.66-0.67). The developed QSAR models identified number of sp(2) hybridized Oxygen atoms within seven bonds from aromatic Carbon atoms, the presence of Carbon and Nitrogen atoms at a topological distance of 3 and other interrelations of atom pairs as important pharmacophoric features. Hence, the present QSAR models have a good balance of Qualitative (Descriptive QSARs) and Quantitative (Predictive QSARs) approaches, therefore useful for future modifications of peptide-type compounds for anti- SARS-CoV activity. äStructure features of peptide-type SARS-CoV main protease inhibitors: (epmc).pdf DeepDyve Pubget Overpricing