Icon

00_​Setup

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

Nodes

Extensions

Links

Download

To use this workflow in KNIME, download it from the below URL and open it in KNIME:

Download Workflow
Created by: daria_knime
Created at: 2020-05-03
On NodePit since: 2020-06-05
Last update: 2024-11-21
Created with KNIME version: v4.1.3

Deploy, schedule, execute, and monitor your KNIME workflows locally, in the cloud or on-premises – with our brand new NodePit Runner.

Try NodePit Runner!