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1clickscaffoldhop [2013/12/02 23:38] – smaller screenshot sanmark1clickscaffoldhop [2014/02/26 00:01] (current) flack
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 ====== 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.1386027530.txt.gz · Last modified: 2013/12/02 23:38 by sanmark