Bioisostere and R-group enumeration using custom or predefined isosteres and libraries.
Reaction-Based Enumeration to rapidly generate idea molecules with significant diversity and high probability of being synthesizable.
[Requires: - Macromodel]
J.Med.Chem. 2016, 59, 7677-7682
J.Med.Chem. 2018, 61, 4851-4859
Workflow
Library design workshop
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KNIME AG, Zurich, Switzerland
Version 3.7.1
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Schrödinger
Versions 20.3.114, 4.7.0, 4.7.7
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