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00_​Setup

Workflow

Open the workflow and install missing extensions cyp_chemblpass/failNode 9corescaffoldCreate sidechain combosNode 163Node 164Node 165Node 166Node 167Node 168 ORC Reader SDF Reader Column Expressions Speedy SMILESDe-salt Molecule Type Cast RDKit Canon SMILES Tile View MarvinSketch Python Script (1⇒1) Parameter OptimizationLoop Start ParameterOptimization Loop End Data Explorer Similarity Search XGBoost TreeEnsemble Learner Column Expressions Open the workflow and install missing extensions cyp_chemblpass/failNode 9corescaffoldCreate sidechain combosNode 163Node 164Node 165Node 166Node 167Node 168 ORC Reader SDF Reader Column Expressions Speedy SMILESDe-salt Molecule Type Cast RDKit Canon SMILES Tile View MarvinSketch Python Script (1⇒1) Parameter OptimizationLoop Start ParameterOptimization Loop End Data Explorer Similarity Search XGBoost TreeEnsemble Learner Column Expressions

Download

Get this workflow from the following link: Download

Nodes

00_​Setup consists of the following 15 nodes(s):

Plugins

00_​Setup contains nodes provided by the following 11 plugin(s):