Differences

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

--- tools [2012/10/11 22:06] – created rkiss
+++ tools [2024/04/09 08:35] (current) – rkiss
@@ Line 1: / Line 1: @@
-====== Tools ======
+====== WORKFLOW STEPS (Drug discovery tools) ======
+In the **[[screen|Workflow Builder]]**, you can use several drug discovery tools for **[[hitidentification|hit identification]]**. They can be added as individual workflow steps which will be executed sequentially. Depending on your **[[https://mcule.com/pricing/|Price Plan]]** you can access different tools (more info on the **[[freepackage|free package]]** and the **[[subscriptionpackages|subscription packages]]**). Here is a list of the currently available workflow steps:
-Mcule provides several drug discovery tools that can help to identify drug candidates in the mcule database (link). Each tool can be used as a workflow step when setting up a virtual screening workflow under the “Screen” tab. These tools are either provided for free (link to free package) or through subscriptions (link). You can see a list of your available tools under the “Screen” tab (link) by clicking on the “Select workflow step” field (set to “Exact search” by default). Here is a list of the currently available tools at mcule.com:
+**[[Exactsearch|EXACT SEARCH >>]]**
-**[[Exactsearch|Exact search]]**
+**[[Bulkexactsearch|BULK EXACT SEARCH >>]]**
-**[[Bulkexactsearch|Bulk exact search]]**
-**[[Similaritysearch|Similarity search]]**
-**[[Diversitysel|Diversity selection]]**
-**[[SMARTSquery|SMARTS query filter]]**
-**[[Substructuresearch|Substructure search]]**
-**[[REOS|REOS filter]]**
-**[[Dockingvina|Docking (Vina)]]**
-**[[Propertyfilter|Property filter]]**
-**[[Chemaxonpropcalc|ChemAxon property calculators]]**
-**[[FTrees|BioSolveIT FTrees Visual Similarities]]**
-**[[Sampler|Sampler]]**
+**[[Similaritysearch|SIMILARITY SEARCH >>]]**
+**[[Diversitysel|DIVERSITY SELECTION >>]]**
+**[[Substructuresearch|SUBSTRUCTURE SEARCH >>]]**
+**[[SMARTSquery|SMARTS QUERY FILTER >>]]**
+**[[REOS|REOS FILTER >>]]**
+**[[Dockingvina|DOCKING (VINA) >>]]**
+**[[basicpropertyfilter|BASIC PROPERTY FILTER >>]]**
+**[[advancedpropertyfilter|ADVANCED PROPERTY FILTER >>]]**
+**[[Chemaxonpropcalc|CUSTOM PROPERTY CALCULATORS >>]]**
+**[[Productfilter|PRODUCT FILTER >>]]**
+**[[Sampler|SAMPLER >>]]**