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:

Exact search

Bulk exact search

Similarity search

Diversity selection

SMARTS query filter

Substructure search

REOS filter

Docking (Vina)

Property filter

ChemAxon property calculators

BioSolveIT FTrees Visual Similarities

Sampler