====== PREFILTER THE MCULE DATABASE (design a screening library) ====== - Go to **[[http://mcule.com/search/screen/?template=diverse-library-design|HIT IDENTIFICATION / DIVERSE LIBRARY DESIGN]]** to prepare a diverse subset of the Mcule database. - You can adjust the template or build **[[http://mcule.com/search/screen/|custom workflows]]** by starting from scratch. - You might run your workflow on all **[[purchasable|Purchasable compounds]]** or choose any other molecule collections as input. - 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]]**, **[[productfilter|Product filter]]** and **[[diversitysel|Diversity selection]]**. - Optionally you can give a **"Name"**, add **"Description"** to the output collection and defined the maximum number of output entries - Click on **"RUN"** - After the search was finished, you can click on the **"EXPORT"** button in the top right corner and download your prefiltered database in SDF, SMILES, InChI, InChIKey, mcule ID formats. **[[usecases|Go back to use cases ยป]]**