AutoQSAR - on KNIME server

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Generate QSAR models for a chosen property of a set of compounds, and apply the QSAR model to other compounds, with traditional QSAR methods.

Nodes

• Component Input3 ×
• Component Output3 ×
• AutoQSAR Predict1 ×
• Column Filter1 ×
• Column Resorter1 ×
• Create Temp Dir1 ×
• Extract Properties1 ×
• File Download1 ×
• File Upload1 ×
• Get Help1 ×
• LigPrep1 ×
• MAE-to-SD1 ×
• Molecule String Input1 ×
• Molecule Type Cast1 ×
• QSAR Model Reader1 ×
• SDF Writer1 ×
• Table View (JavaScript)1 ×
• Variable to Table Row1 ×

Extensions

• FeatureKNIME Base Chemistry Types & Nodes
• FeatureKNIME Base nodes
• FeatureKNIME JavaScript Views
• FeatureKNIME Quick Forms

Links

• No links available