Differences

This shows you the differences between two versions of the page.

--- screen [2013/02/27 11:31] – rkiss
+++ screen [2013/10/11 08:40] – rkiss
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-====== Workflow Builder ======
+====== WORKFLOW BUILDER ======
 **[[http://www.youtube.com/watch?v=TxarRDiKtNM|WATCH TUTORIAL VIDEO!]]**
@@ Line 5: / Line 5: @@
 {{:workflowbuilder.png?800|}}
-The mcule technology revolutionizes compound selection either for **[[http://en.wikipedia.org/wiki/Virtual_screening|virtual screening]]** or for **screening library design** by providing [[tools|powerful, advanced filtering and modeling tools]] in the [[https://mcule.com/search/screen|Workflow Builder]].
+The mcule technology revolutionizes compound selection either for **[[http://en.wikipedia.org/wiki/Virtual_screening|virtual screening]]** or for **screening library design** by providing powerful and advanced [[tools| filtering and modeling tools]] in the [[https://mcule.com/search/screen/|Workflow Builder]].
 ====== When to use ======
 ==== Virtual screening ====
+The [[https://mcule.com/search/screen/|Workflow Builder]] is well-suited for designing and running virtual screens for **hit identification**. It can be used to run structure-based and ligand-based workflows and the best hits can be purchased by a single click.
 ==== Library design ====
@@ Line 18: / Line 18: @@
 ====== How to use ======
-Imagine the [[https://mcule.com/search/screen|Workflow Builder]] as a funnel.
+Imagine the [[https://mcule.com/search/screen/|Workflow Builder]] as a funnel.
 ==== Input ====
@@ Line 35: / Line 35: @@
 All user-built workflows including the query molecules are saved and can be accessed together with the results by the user at any time. To do this, select the result collection (under the "Collections" tab) and click on "Display query". Note that your queries and workflows will always be private, even if you change the privacy level of the result collection (they can never be seen by other users).
+We have prepared a few workflow templates which are good starting points to create your customized workflows:
+  * [[https://mcule.com/search/screen/?template=structure-based-virtual-screening|Structure-based virtual screening template]]
+  * [[https://mcule.com/search/screen/?template=ligand-based-virtual-screening|Ligand-based virtual screening template]]
+  * [[https://mcule.com/search/screen/?template=diverse-library-design|Diverse library design template]]
 ==== Output ====
 At the bottom, you can specify the **Output**, number of hits and name of the output collection. You can add a name for each workflow ("Name" field at the top). This name will be associated to the screening workflow as well as to the collection containing the results of the screening workflow. If you leave this field blank, a unique, timestamped name will be generated automatically (e.g. search_2012-10-01_23:02:47.263886). If you would like to add a description for this workflow/collection, click on the "Add description" link to the right of the "Name" input field. The "Maximum hits" field is set to 1,000 by default. If you don't want to limit the number of results, you can delete the number from this field. Note that if you are using the [[freepackage|Free package]], the maximum number of molecules in a single collection is 10,000, which implicitly limits the "Maximum hits" to 10,000.