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reos [2012/10/14 09:47]
rkiss
reos [2012/10/14 09:58]
rkiss
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-The REOS concept ​and expression ​was introduced by [[http://​www.sciencedirect.com/​science/​article/​pii/​S135964469701163X|researchers at Vertex]]. REOS (rapid elimination of swill) filter is based on more than 100 SMARTS ​(link to smarts query) ​strings collected from literature data describing non-druglike functionalities associated with promiscuous ligands and frequent hitters. Efficiency of lead optimization efforts can be significantly increased by eliminating these problematic compounds to focus on top quality drug candidates only. The word “REOS” and the concept was first described here (link to publication).+The word “REOS” and the concept was first described ​was introduced by [[http://​www.sciencedirect.com/​science/​article/​pii/​S135964469701163X|researchers at Vertex]]. REOS (rapid elimination of swill) filter is based on more than 100 [[smartsquery|SMARTS]] strings collected from literature data describing non-druglike functionalities associated with promiscuous ligands and frequent hitters. Efficiency of lead optimization efforts can be significantly increased by eliminating these problematic compounds to focus on top quality drug candidates only.
  
 ===== When to use ===== ===== When to use =====
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 ===== Results ===== ===== Results =====
  
-- molecules ​not containing any reactive functional groups defined in the SMARTS queries of the REOS filter+Molecules ​not containing any reactive functional groups defined in the SMARTS queries of the REOS filter
  
 ===== Access ===== ===== Access =====
  
- +The REOS filter is not available in the [[freepackage|Free package]]. To get access to the REOS filter, please ​[[subscriptionpackages|subscribe]] to the Library Design package.
-The REOS filter is not available in the Free package ​(link). To get access to the REOS filter, please subscribe to the Library Design package ​(link).+
reos.txt · Last modified: 2018/11/21 08:09 by rkiss