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). Here is a list of the currently available workflow steps:

EXACT SEARCH >>

BULK EXACT SEARCH >>

SIMILARITY SEARCH >>

DIVERSITY SELECTION >>

SUBSTRUCTURE SEARCH >>

SMARTS QUERY FILTER >>

REOS FILTER >>

DOCKING (VINA) >>

BASIC PROPERTY FILTER >>

ADVANCED PROPERTY FILTER >>

CUSTOM PROPERTY CALCULATORS >>

PRODUCT FILTER >>

SAMPLER >>