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10.1039/d1cc00050k http://scihub22266oqcxt.onion/10.1039/d1cc00050k 34008627!8204246!34008627     free     free     free Deprecated: Implicit conversion from float 231.6 to int loses precision in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 534 Deprecated: Implicit conversion from float 231.6 to int loses precision in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 534 Deprecated: Implicit conversion from float 231.6 to int loses precision in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 534 Deprecated: Implicit conversion from float 231.6 to int loses precision in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 534 Deprecated: Implicit conversion from float 231.6 to int loses precision in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 534 Deprecated: Implicit conversion from float 231.6 to int loses precision in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 534 Deprecated: Implicit conversion from float 231.6 to int loses precision in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 534       Chem+Commun+(Camb) 2021 ; 57 (48): 5909-5912 Nephropedia Template TP {{tp|p=34008627|t=2021. Discovery of SARS-CoV-2 main protease inhibitors using a synthesis-directed de novo design model |pdf=|usr=}}{{34008627}} gab.com Text Discovery of SARS-CoV-2 main protease inhibitors using a synthesis-directed de novo design model JO: Chem Commun (Camb) http://www.kidney.de/pget.php?&tw=1&pmid=34008627 #FOAvip The SARS-CoV-2 main viral protease (Mpro) is an attractive target for antivirals given its distinctiveness from host proteases, essentiality in the viral life cycle and conservation across coronaviridae. We launched the COVID Moonshot initiative to rapidly develop patent-free antivirals with open science and open data. Here we report the use of machine learning for de novo design, coupled with synthesis route prediction, in our campaign. We discover novel chemical scaffolds active in biochemical and live virus assays, synthesized with model generated routes. Twit Text FOAVip Discovery of SARS-CoV-2 main protease inhibitors using a synthesis-directed de novo design model ????Chem Commun (Camb) http://www.kidney.de/pget.php?&tw=1&pmid=34008627 #FOAvip Twit Text # Free Paper on # # # # # LINK http://www.kidney.de/pget.php?&tw=1&pmid=34008627 #FOAvip English Wikipedia <ref>{{Cite pmid|34008627}}</ref> Discovery of SARS-CoV-2 main protease inhibitors using a synthesis-directed de novo design model #MMPMID34008627 Morris A; McCorkindale W; Consortium TCM; Drayman N; Chodera JD; Tay S; London N; Lee AA Chem Commun (Camb) 2021[Jun]; 57 (48): 5909-5912 PMID34008627show ga The SARS-CoV-2 main viral protease (Mpro) is an attractive target for antivirals given its distinctiveness from host proteases, essentiality in the viral life cycle and conservation across coronaviridae. We launched the COVID Moonshot initiative to rapidly develop patent-free antivirals with open science and open data. Here we report the use of machine learning for de novo design, coupled with synthesis route prediction, in our campaign. We discover novel chemical scaffolds active in biochemical and live virus assays, synthesized with model generated routes. |Antiviral Agents/chemical synthesis/*pharmacology[MESH] |Coronavirus 3C Proteases/*antagonists & inhibitors[MESH] |Coronavirus OC43, Human/drug effects[MESH] |Cysteine Proteinase Inhibitors/chemical synthesis/*pharmacology[MESH] |Drug Design[MESH] |Drug Discovery/methods[MESH] |Machine Learning[MESH] |Microbial Sensitivity Tests[MESH]Discovery of SARS-CoV-2 main protease inhibitors using a synthesis-dir(epmc).pdf DeepDyve Pubget Overpricing