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Molecular fragments recommendation system

Workflow

Convert to smilesDockingMurcko Alg.Preparation for dockingPreparation for dockingNode 59Node 61Substructure searchNode 64String-to-Type Glide Ligand Docking(deprecated) Scaffold Calc Ligands Protein Table Reader Table Writer FG Сalc Row Filter Convert to smilesDockingMurcko Alg.Preparation for dockingPreparation for dockingNode 59Node 61Substructure searchNode 64String-to-Type Glide Ligand Docking(deprecated) Scaffold Calc Ligands Protein Table Reader Table Writer FG Сalc Row Filter

Download

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Nodes

Molecular fragments recommendation system consists of the following 26 nodes(s):

Plugins

Molecular fragments recommendation system contains nodes provided by the following 6 plugin(s):