usecaseprefilter
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usecaseprefilter [2013/10/09 08:28] – created rkiss | usecaseprefilter [2013/10/11 12:56] – rkiss | ||
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- | 1. You can start with our **[[http:// | + | 1. Go to **[[http:// |
- | 2. You can make adjustments to that template or build **[[http:// | + | 2. You can adjust the template or build **[[http:// |
3. You might run your workflow on all **[[purchasable|Purchasable compounds]]** or choose any other molecule collections as input. | 3. You might run your workflow on all **[[purchasable|Purchasable compounds]]** or choose any other molecule collections as input. | ||
- | 4. In the workflow you can include various filters. For example, a reasonable prefiltering workflow might include **[[|Basic-]]** or **[[|Advanced Property filter]]**, **[[smartsquery|SMARTS filter]]**, **[[sampler|Sampler]]**, | + | 4. In the workflow you can include various filters. For example, a reasonable prefiltering workflow might include **[[basicpropertyfilter|Basic-]]** or **[[advancedpropertyfilter|Advanced Property filter]]**, **[[smartsquery|SMARTS filter]]**, **[[sampler|Sampler]]**, |
5. Optionally you can give a **" | 5. Optionally you can give a **" | ||
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**__[[usecases|Go back to use cases >> | **__[[usecases|Go back to use cases >> | ||
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usecaseprefilter.txt · Last modified: 2014/01/01 15:52 by flack