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WORKFLOW STEPS (Drug discovery tools)

In the Workflow Builder, you can use several drug discovery tools for hit identification. They can be added as individual workflow steps which will be executed sequentially. Depending on your Price Plan you can access different tools (more info on the free package and the subscription packages). You can see a list of your available tools under the "Workflow builder" 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

Product filter

Sampler

tools.1381404012.txt.gz · Last modified: 2013/10/10 11:20 by rkiss