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regsys [2013/02/27 09:16]
rkiss
regsys [2013/02/27 09:19]
rkiss
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 The mcule database is curated by **MAC (Mcule Advanced Curation)** that involves a rigorous molecule registration system based on more than 80 structural checks, standardization, preparation and correction steps. MAC guarantees high quality search results and avoids common errors arising from mis-drawn and incorrect structures that can critically affect the quality of computational calculations and the efficiency of experimental results. The mcule database is curated by **MAC (Mcule Advanced Curation)** that involves a rigorous molecule registration system based on more than 80 structural checks, standardization, preparation and correction steps. MAC guarantees high quality search results and avoids common errors arising from mis-drawn and incorrect structures that can critically affect the quality of computational calculations and the efficiency of experimental results.
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 +**Key features of MAC:** high level data curation, stereochemical standardization, robust novelty check and isomer detection, correct handling of salts & organometallics
  
 Continue reading for more information about MAC, or check our presentations from the 244th National Meeting of American Chemical Society: Continue reading for more information about MAC, or check our presentations from the 244th National Meeting of American Chemical Society:
  
-[[http://mcule-blog.s3.amazonaws.com/acs12/mcule_ACS12_Phi_libraries.pdf]Evaluation of data quality in currently available compound libraries (slides)]]+[[http://mcule-blog.s3.amazonaws.com/acs12/mcule_ACS12_Phi_libraries.pdf|Evaluation of data quality in currently available compound libraries (slides)]]
  
 [[http://mcule-blog.s3.amazonaws.com/acs12/mcule_ACS12_libraries.jpg|Evaluation of data quality in currently available compound libraries (poster)]] [[http://mcule-blog.s3.amazonaws.com/acs12/mcule_ACS12_libraries.jpg|Evaluation of data quality in currently available compound libraries (poster)]]
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 **All molecules with an MCULE ID have been processed by MAC**. User uploaded molecules are not processed by MAC by default. We plan to enable this option in future. **All molecules with an MCULE ID have been processed by MAC**. User uploaded molecules are not processed by MAC by default. We plan to enable this option in future.
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-**Key features:** high level data curation, stereochemical standardization, robust novelty check and isomer detection, correct handling of salts & organometallics 
  
 ==== Registration challenges ==== ==== Registration challenges ====
regsys.txt ยท Last modified: 2013/10/19 13:36 by rkiss