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reos
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reos [2012/10/12 00:20] rkiss created |
reos [2012/10/14 09:47] rkiss |
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| - | 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 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). |
| ===== When to use ===== | ===== When to use ===== | ||
reos.txt · Last modified: 2018/11/21 08:09 by rkiss
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