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GroupBy 1-2

GroupBy Use-cases

Illustrate how to use the GroupBy node in the context of the ionization form prediction over a range of pH. Various aggregation methods are used: maximum/minimum, unique count, unique concatenate, set, and list.

GroupBy Use-cases: Illustrate how to use the GroupBy node in the context of the ionization form prediction over a range of pH. Various aggregation methods are used: maximum/minimum, unique count,unique concatenate, set, and list.Ionization forms prediction on a range of pHTitle > pH > pKacombinaisonState penalties over the pH rangeGroupingList of the ionization forms generatedMaximumLargest pKa for each pHSMILES pattern listTitle > pHUnique concatenatecountList of the ionization forms generatedAs SMILESNumber of forms and ionizable groups at various pH valuesTitle > pHSMILES patternTable Reader Sorter GroupBy Table Viewer GroupBy Table Viewer GroupBy Table Viewer Split CollectionColumn Sorter GroupBy GroupBy Table Viewer String-to-Type Table Viewer Sorter Column Rename Cell Splitter GroupBy Use-cases: Illustrate how to use the GroupBy node in the context of the ionization form prediction over a range of pH. Various aggregation methods are used: maximum/minimum, unique count,unique concatenate, set, and list.Ionization forms prediction on a range of pHTitle > pH > pKacombinaisonState penalties over the pH rangeGroupingList of the ionization forms generatedMaximumLargest pKa for each pHSMILES pattern listTitle > pHUnique concatenatecountList of the ionization forms generatedAs SMILESNumber of forms and ionizable groups at various pH valuesTitle > pHSMILES patternTable Reader Sorter GroupBy Table Viewer GroupBy Table Viewer GroupBy Table Viewer Split CollectionColumn Sorter GroupBy GroupBy Table Viewer String-to-Type Table Viewer Sorter Column Rename Cell Splitter

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On NodePit since: 2020-08-12
Last update: 2026-01-27
Created with KNIME version: v4.1.0
Tags: Workbench

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