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10.1021/acs.jcim.0c00420 http://scihub22266oqcxt.onion/10.1021/acs.jcim.0c00420 32672454!ä!32672454 Deprecated: Implicit conversion from float 233.6 to int loses precision in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 534 Deprecated: Implicit conversion from float 233.6 to int loses precision in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 534 Deprecated: Implicit conversion from float 233.6 to int loses precision in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 534       J+Chem+Inf+Model 2020 ; 60 (12): 5730-5734 Nephropedia Template TP {{tp|p=32672454|t=2020. Bioactivity Profile Similarities to Expand the Repertoire of COVID-19 Drugs |pdf=|usr=}}{{32672454}} gab.com Text Bioactivity Profile Similarities to Expand the Repertoire of COVID-19 Drugs JO: J Chem Inf Model http://www.kidney.de/pget.php?&tw=1&pmid=32672454 #FOAvip Until a vaccine becomes available, the current repertoire of drugs is our only therapeutic asset to fight the SARS-CoV-2 outbreak. Indeed, emergency clinical trials have been launched to assess the effectiveness of many marketed drugs, tackling the decrease of viral load through several mechanisms. Here, we present an online resource, based on small-molecule bioactivity signatures and natural language processing, to expand the portfolio of compounds with potential to treat COVID-19. By comparing the set of drugs reported to be potentially active against SARS-CoV-2 to a universe of 1 million bioactive molecules, we identify compounds that display analogous chemical and functional features to the current COVID-19 candidates. Searches can be filtered by level of evidence and mechanism of action, and results can be restricted to drug molecules or include the much broader space of bioactive compounds. Moreover, we allow users to contribute COVID-19 drug candidates, which are automatically incorporated to the pipeline once per day. The computational platform, as well as the source code, is available at https://sbnb.irbbarcelona.org/covid19. Twit Text FOAVip Bioactivity Profile Similarities to Expand the Repertoire of COVID-19 Drugs ????J Chem Inf Model http://www.kidney.de/pget.php?&tw=1&pmid=32672454 #FOAvip Twit Text # Free Paper on # # # # # LINK http://www.kidney.de/pget.php?&tw=1&pmid=32672454 #FOAvip English Wikipedia <ref>{{Cite pmid|32672454}}</ref> Bioactivity Profile Similarities to Expand the Repertoire of COVID-19 Drugs #MMPMID32672454 Duran-Frigola M; Bertoni M; Blanco R; Martinez V; Pauls E; Alcalde V; Turon G; Villegas N; Fernandez-Torras A; Pons C; Mateo L; Guitart-Pla O; Badia-I-Mompel P; Gimeno A; Soler N; Brun-Heath I; Zaragoza H; Aloy P J Chem Inf Model 2020[Dec]; 60 (12): 5730-5734 PMID32672454show ga Until a vaccine becomes available, the current repertoire of drugs is our only therapeutic asset to fight the SARS-CoV-2 outbreak. Indeed, emergency clinical trials have been launched to assess the effectiveness of many marketed drugs, tackling the decrease of viral load through several mechanisms. Here, we present an online resource, based on small-molecule bioactivity signatures and natural language processing, to expand the portfolio of compounds with potential to treat COVID-19. By comparing the set of drugs reported to be potentially active against SARS-CoV-2 to a universe of 1 million bioactive molecules, we identify compounds that display analogous chemical and functional features to the current COVID-19 candidates. Searches can be filtered by level of evidence and mechanism of action, and results can be restricted to drug molecules or include the much broader space of bioactive compounds. Moreover, we allow users to contribute COVID-19 drug candidates, which are automatically incorporated to the pipeline once per day. The computational platform, as well as the source code, is available at https://sbnb.irbbarcelona.org/covid19. |*COVID-19 Drug Treatment[MESH] |Antiviral Agents/*chemistry/pharmacology[MESH] |Computer Simulation[MESH] |Drug Design[MESH] |Drug Repositioning/*methods[MESH] |Humans[MESH] |Models, Molecular[MESH] |Molecular Structure[MESH] |SARS-CoV-2/*drug effects[MESH]Bioactivity Profile Similarities to Expand the Repertoire of COVID-19 (epmc).pdf DeepDyve Pubget Overpricing