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1clickscaffoldhop [2013/12/03 00:38]
sanmark smaller screenshot
1clickscaffoldhop [2014/02/26 01:01]
flack
Line 24: Line 24:
 ====== Results ====== ====== Results ======
  
-{{:​1click_sh_results2.png?​800|}}+{{:​1click_sh_results2.png?​600|}}
  
 ====== Protocol ====== ====== Protocol ======
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       * N/O atoms   Min: 1       * N/O atoms   Min: 1
   - [[reos|REOS]]   - [[reos|REOS]]
-  - [[sampler|Sampler]] 
-      * Output: 500,000 compounds (randomized) 
   - [[diversitysel|Diversity selection]]   - [[diversitysel|Diversity selection]]
       * Similarity threshold: 1.0       * Similarity threshold: 1.0
       * Max number of most diverse molecules: 10,000       * Max number of most diverse molecules: 10,000
1clickscaffoldhop.txt ยท Last modified: 2014/02/26 01:01 by flack