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Reaction-based enumeration

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.

Reaction-based enumerationEnumerate structures by substitution of R groups in the reactants and products of a single- or multi-step reaction. It is also use forCore hopping.Ligand2 step synthesisSuzuki and amide couplingenumerationEnumeration around a core2D views2 step synthesisCore hoppingwarying only the central section of the molecule2D viewsEnumeration around a core list the names of all available RDKit descriptors list the names of all available reactions Available optionsthat could be passed throughParameter flow variablesprint a table of reaction names along with descriptions and reagent classesMolecule Reader(to MAE) Reaction BasedEnumeration Table Viewer MAE-to-Smiles Reaction BasedEnumeration MAE-to-Smiles Table Viewer Get Help Get Help Table Viewer Get Help Table Viewer Get Help Table Viewer Table Viewer Reaction-based enumerationEnumerate structures by substitution of R groups in the reactants and products of a single- or multi-step reaction. It is also use forCore hopping.Ligand2 step synthesisSuzuki and amide couplingenumerationEnumeration around a core2D views2 step synthesisCore hoppingwarying only the central section of the molecule2D viewsEnumeration around a core list the names of all available RDKit descriptors list the names of all available reactions Available optionsthat could be passed throughParameter flow variablesprint a table of reaction names along with descriptions and reagent classesMolecule Reader(to MAE) Reaction BasedEnumeration Table Viewer MAE-to-Smiles Reaction BasedEnumeration MAE-to-Smiles Table Viewer Get Help Get Help Table Viewer Get Help Table Viewer Get Help Table Viewer Table Viewer

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Created by: jcmozzic
Created at: 2018-02-26
On NodePit since: 2023-12-14
Last update: 2024-12-17
Created with KNIME version: v4.1.1
Tags: Library Design

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