RDKit Descriptor Calculation

Manipulator

This node is used for calculating the descriptors for each molecule in the input table. The user has the option to choose which descriptors need to be calculated and the calculated descriptor values for each molecule in the input table are shown in its own column in the output table.

Input Ports

  1. Type: Data Table containing RDKit Molecules.

Output Ports

  1. Type: Data Table containing calculated descriptor values.

Find here

Community Nodes > RDKit > Calculators

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