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10.1038/s41597-020-00727-4 http://scihub22266oqcxt.onion/10.1038/s41597-020-00727-4 33177514!7658252!33177514     free     free     free 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 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 267.2 to int loses precision in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 534       Sci+Data 2020 ; 7 (1): 384 Nephropedia Template TP {{tp|p=33177514|t=2020. SAVI, in silico generation of billions of easily synthesizable compounds through expert-system type rules |pdf=|usr=}}{{33177514}} gab.com Text SAVI, in silico generation of billions of easily synthesizable compounds through expert-system type rules JO: Sci Data http://www.kidney.de/pget.php?&tw=1&pmid=33177514 #FOAvip We have made available a database of over 1 billion compounds predicted to be easily synthesizable, called Synthetically Accessible Virtual Inventory (SAVI). They have been created by a set of transforms based on an adaptation and extension of the CHMTRN/PATRAN programming languages describing chemical synthesis expert knowledge, which originally stem from the LHASA project. The chemoinformatics toolkit CACTVS was used to apply a total of 53 transforms to about 150,000 readily available building blocks (enamine.net). Only single-step, two-reactant syntheses were calculated for this database even though the technology can execute multi-step reactions. The possibility to incorporate scoring systems in CHMTRN allowed us to subdivide the database of 1.75 billion compounds in sets according to their predicted synthesizability, with the most-synthesizable class comprising 1.09 billion synthetic products. Properties calculated for all SAVI products show that the database should be well-suited for drug discovery. It is being made publicly available for free download from https://doi.org/10.35115/37n9-5738. Twit Text FOAVip SAVI, in silico generation of billions of easily synthesizable compounds through expert-system type rules ????Sci Data http://www.kidney.de/pget.php?&tw=1&pmid=33177514 #FOAvip Twit Text # Free Paper on # # # # # LINK http://www.kidney.de/pget.php?&tw=1&pmid=33177514 #FOAvip English Wikipedia <ref>{{Cite pmid|33177514}}</ref> SAVI, in silico generation of billions of easily synthesizable compounds through expert-system type rules #MMPMID33177514 Patel H; Ihlenfeldt WD; Judson PN; Moroz YS; Pevzner Y; Peach ML; Delannee V; Tarasova NI; Nicklaus MC Sci Data 2020[Nov]; 7 (1): 384 PMID33177514show ga We have made available a database of over 1 billion compounds predicted to be easily synthesizable, called Synthetically Accessible Virtual Inventory (SAVI). They have been created by a set of transforms based on an adaptation and extension of the CHMTRN/PATRAN programming languages describing chemical synthesis expert knowledge, which originally stem from the LHASA project. The chemoinformatics toolkit CACTVS was used to apply a total of 53 transforms to about 150,000 readily available building blocks (enamine.net). Only single-step, two-reactant syntheses were calculated for this database even though the technology can execute multi-step reactions. The possibility to incorporate scoring systems in CHMTRN allowed us to subdivide the database of 1.75 billion compounds in sets according to their predicted synthesizability, with the most-synthesizable class comprising 1.09 billion synthetic products. Properties calculated for all SAVI products show that the database should be well-suited for drug discovery. It is being made publicly available for free download from https://doi.org/10.35115/37n9-5738. äSAVI, in silico generation of billions of easily synthesizable compoun(epmc).pdf DeepDyve Pubget Overpricing