Differences

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

--- tools [2012/11/07 15:57] – 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. Each tool can be used as a workflow step when setting up a [[http://en.wikipedia.org/wiki/Virtual_screening|virtual screening]] workflow under the [[screen|“Screen”]] tab. These tools are either provided for [[freepackage|free]] or through [[subscriptionpackages|subscriptions]]. You can see a list of your available tools under the [[screen|“Screen”]] tab by clicking on the “Select workflow step type” field (set to [[Exactsearch|Exact search]] by default). Here is a list of the currently available tools at [[https://mcule.com|mcule.com]]:
+**[[Exactsearch|EXACT SEARCH >>]]**
-**[[Exactsearch|Exact search]]**
+**[[Bulkexactsearch|BULK EXACT SEARCH >>]]**
-**[[Bulkexactsearch|Bulk exact search (coming soon!)]]**
+**[[Similaritysearch|SIMILARITY SEARCH >>]]**
-**[[Similaritysearch|Similarity search]]**
+**[[Diversitysel|DIVERSITY SELECTION >>]]**
-**[[Diversitysel|Diversity selection]]**
+**[[Substructuresearch|SUBSTRUCTURE SEARCH >>]]**
-**[[Substructuresearch|Substructure search]]**
+**[[SMARTSquery|SMARTS QUERY FILTER >>]]**
-**[[SMARTSquery|SMARTS query filter]]**
+**[[REOS|REOS FILTER >>]]**
-**[[REOS|REOS filter (coming soon!)]]**
+**[[Dockingvina|DOCKING (VINA) >>]]**
-**[[Dockingvina|Docking (Vina)]]**
+**[[basicpropertyfilter|BASIC PROPERTY FILTER >>]]**
-**[[mculepropertyfilter|mcule property filter]]**
+**[[advancedpropertyfilter|ADVANCED PROPERTY FILTER >>]]**
-**[[Chemaxonpropertyfilter|ChemAxon property filter]]**
+**[[Chemaxonpropcalc|CUSTOM PROPERTY CALCULATORS >>]]**
-**[[Chemaxonpropcalc|ChemAxon property calculators]]**
+**[[Productfilter|PRODUCT FILTER >>]]**
-**[[FTrees|BioSolveIT FTrees Visual Similarities]]**
+**[[Sampler|SAMPLER >>]]**
-**[[Sampler|Sampler]]**