1clickscaffoldhop
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1clickscaffoldhop [2013/12/02 23:38] – smaller screenshot sanmark | 1clickscaffoldhop [2014/02/26 00:01] (current) – flack | ||
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====== Results ====== | ====== Results ====== | ||
- | {{: | + | {{: |
====== 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