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1clickscaffoldhop
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1clickscaffoldhop [2013/12/03 00:39] sanmark smaller screenshot |
1clickscaffoldhop [2014/02/26 01:01] (current) flack |
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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
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