Functional groups are replaced with bioisosteres that are available in the literature.
[Requires: Maestro]
Workflow
Bioisoster enumeration
Used extensions & nodes
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KNIME AG, Zurich, Switzerland
Version 4.5.0
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KNIME AG, Zurich, Switzerland
Version 4.5.0
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Schrödinger
Versions 20.4.125, 22.3.121, 22.4.131
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