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 virtual screening workflow under the “Screen” tab. These tools are either provided for free or through subscriptions. You can see a list of your available tools under the “Screen” tab by clicking on the “Select workflow step type” field (set to Exact search by default). Here is a list of the currently available tools at mcule.com:

Exact search

Bulk exact search (coming soon!)

Similarity search

Diversity selection

Substructure search

SMARTS query filter

REOS filter (coming soon!)

Docking (Vina)

mcule property filter

ChemAxon property filter

ChemAxon property calculators

BioSolveIT FTrees Visual Similarities

Sampler