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02. Data Manipulation - solution

Data Access, property calculation and visualisation assay_data.xlsxcompound_data.csvfilter for the target (serotonin 1a receptor)pivot the data to have assay data in columns and compounds in rowsadd the SMILES and compound ChEMBL IDsusing a Joinerfilter out molregnoremove the target from the column names resulting from the pivotingcreate activity column (target column for machine learning) Excel Reader File Reader(Complex Format) Row Filter Pivoting Joiner Column Filter Column Rename(Regex) RDKit From Molecule Renderer to Image Rule Engine RDKit DescriptorCalculation Data exploration Excel Writer Data Access, property calculation and visualisation assay_data.xlsxcompound_data.csvfilter for the target (serotonin 1a receptor)pivot the data to have assay data in columns and compounds in rowsadd the SMILES and compound ChEMBL IDsusing a Joinerfilter out molregnoremove the target from the column names resulting from the pivotingcreate activity column (target column for machine learning) Excel Reader File Reader(Complex Format) Row Filter Pivoting Joiner Column Filter Column Rename(Regex) RDKit From Molecule Renderer to Image Rule Engine RDKit DescriptorCalculation Data exploration Excel Writer

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Created by: glandrum
Created at: 2019-09-23
On NodePit since: 2023-09-08
Last update: 2024-04-30
Created with KNIME version: v4.7.7

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