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  • Reaction-based enumeration
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Reaction-based enumeration

Library Design

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Enumerate structures by substitution of R groups in the reactants and products of a single- or multi-step reaction. It is also use for Core hopping.

Used extensions & nodes

Created with KNIME Analytics Platform version 4.1.1
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    Schrödinger Extensions for KNIME Trusted extension

    Schrödinger

    Versions 20.3.114, 4.7.0

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