Molecule Activity Aggregation

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Options

Molecule activity

Please select the molecule activity column.

Molecule structure

Select the column containing the molecular structures (in SMILES or SDF format).

Default maximum allowed activity range

Default maximum allowed activity range, which can be dynamically changed by the user via the Interactive View/WebPortal page.

Nodes

• String Manipulation (Variable)4 ×
• Column Filter2 ×
• Column Rename2 ×
• Column Selection Configuration2 ×
• Row Splitter2 ×
• RowID2 ×
• CASE Switch End1 ×
• Cell Splitter1 ×
• Component Input1 ×
• Component Output1 ×
• Concatenate1 ×
• Double Configuration1 ×
• Double Widget1 ×
• Empty Table Switch1 ×
• GroupBy1 ×
• Merge Variables1 ×
• RDKit To InChI1 ×
• Reference Row Filter1 ×
• Refresh Button Widget1 ×
• Renderer to Image1 ×
• Round Double1 ×
• Sorter1 ×
• String Manipulation1 ×
• Table Row to Variable1 ×
• Table View (JavaScript)1 ×
• Text View1 ×
• Variable to Table Row1 ×

Extensions

• FeatureKNIME Base nodes
• FeatureKNIME JavaScript Views
• FeatureKNIME Javasnippet
• FeatureKNIME Quick Forms
• FeatureKNIME SVG Support
• Show all 7 modules

Links

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