Create libraries by substituting one or several attachments on a core structure with fragments from reagent compounds. Unique identifiers are assigned to each new compound.
[Requires: Maestro]
Workflow
Library enumeration
Used extensions & nodes
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KNIME AG, Zurich, Switzerland
Versions 3.6.1, 3.7.1
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Schrödinger
Versions 20.1.5, 21.1.87, 4.7.0
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