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3.3_​ChemicalSpace

Diverse Picking Dimention Reduction MorganFPradius2, 1024bits1000 compounds2 dimentionBit to vector100 diverseSelected=YesmissingSelected=No RDKit Fingerprint DataLoader PCA Expand Bit Vector Scatter Plot Color Manager RDKit DiversityPicker ConstantValue Column Joiner Row Splitter ConstantValue Column Concatenate t-SNE (L. Jonsson) Color Manager Scatter Plot Diverse Picking Dimention Reduction MorganFPradius2, 1024bits1000 compounds2 dimentionBit to vector100 diverseSelected=YesmissingSelected=No RDKit Fingerprint DataLoader PCA Expand Bit Vector Scatter Plot Color Manager RDKit DiversityPicker ConstantValue Column Joiner Row Splitter ConstantValue Column Concatenate t-SNE (L. Jonsson) Color Manager Scatter Plot

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: a1034818
Created at: 2022-08-14
On NodePit since: 2022-10-12
Last update: 2024-12-21
Created with KNIME version: v4.6.1

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