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10.1002/minf.202000080 http://scihub22266oqcxt.onion/10.1002/minf.202000080 32363750!7267182!32363750     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       Mol+Inform 2020 ; 39 (12): e2000080 Nephropedia Template TP {{tp|p=32363750|t=2020. A Chemographic Audit of anti-Coronavirus Structure-activity Information from Public Databases (ChEMBL) |pdf=|usr=}}{{32363750}} gab.com Text A Chemographic Audit of anti-Coronavirus Structure-activity Information from Public Databases (ChEMBL) JO: Mol Inform http://www.kidney.de/pget.php?&tw=1&pmid=32363750 #FOAvip Discovery of drugs against newly emerged pathogenic agents like the SARS-CoV-2 coronavirus (CoV) must be based on previous research against related species. Scientists need to get acquainted with and develop a global oversight over so-far tested molecules. Chemography (herein used Generative Topographic Mapping, in particular) places structures on a human-readable 2D map (obtained by dimensionality reduction of the chemical space of molecular descriptors) and is thus well suited for such an audit. The goal is to map medicinal chemistry efforts so far targeted against CoVs. This includes comparing libraries tested against various virus species/genera, predicting their polypharmacological profiles and highlighting often encountered chemotypes. Maps are challenged to provide predictive activity landscapes against viral proteins. Definition of "anti-CoV" map zones led to selection of therein residing 380 potential anti-CoV agents, out of a vast pool of 800 M organic compounds. Twit Text FOAVip A Chemographic Audit of anti-Coronavirus Structure-activity Information from Public Databases (ChEMBL) ????Mol Inform http://www.kidney.de/pget.php?&tw=1&pmid=32363750 #FOAvip Twit Text # Free Paper on # # # # # LINK http://www.kidney.de/pget.php?&tw=1&pmid=32363750 #FOAvip English Wikipedia <ref>{{Cite pmid|32363750}}</ref> A Chemographic Audit of anti-Coronavirus Structure-activity Information from Public Databases (ChEMBL) #MMPMID32363750 Horvath D; Orlov A; Osolodkin DI; Ishmukhametov AA; Marcou G; Varnek A Mol Inform 2020[Dec]; 39 (12): e2000080 PMID32363750show ga Discovery of drugs against newly emerged pathogenic agents like the SARS-CoV-2 coronavirus (CoV) must be based on previous research against related species. Scientists need to get acquainted with and develop a global oversight over so-far tested molecules. Chemography (herein used Generative Topographic Mapping, in particular) places structures on a human-readable 2D map (obtained by dimensionality reduction of the chemical space of molecular descriptors) and is thus well suited for such an audit. The goal is to map medicinal chemistry efforts so far targeted against CoVs. This includes comparing libraries tested against various virus species/genera, predicting their polypharmacological profiles and highlighting often encountered chemotypes. Maps are challenged to provide predictive activity landscapes against viral proteins. Definition of "anti-CoV" map zones led to selection of therein residing 380 potential anti-CoV agents, out of a vast pool of 800 M organic compounds. |*Computer Simulation[MESH] |*Drug Discovery[MESH] |*Quantitative Structure-Activity Relationship[MESH] |Animals[MESH] |Antiviral Agents/chemistry/*pharmacology[MESH] |COVID-19 Drug Treatment[MESH] |Coronavirus Infections/*drug therapy[MESH] |Coronavirus/drug effects[MESH] |Humans[MESH] |SARS-CoV-2/drug effects[MESH]A Chemographic Audit of anti-Coronavirus Structure-activity Informatio(epmc).pdf DeepDyve Pubget Overpricing