New Node Release: RDKit Capabilities for Stereoisomers, Parent Structures & Descriptors

Hello! 🙂

We are excited to announce the release of three brand-new RDKit nodes for KNIME AP 5.12:

• Stereoisomer Enumeration: Generates stereoisomers for your selected input molecules.

• Get Parent Molecule: Returns the standardized parent structure of an input molecule.

• Calculate All Descriptors: Calculates virtually all descriptors available in the RDKit Python package (complementing the previous node's limited subset).

How to get those nodes?

• Make sure you have this update site available: https://update.knime.com/community-contributions/trusted/5.12

• When installing extensions, unselect “Group items by category”

• Select “The RDKit nodes written in Python”

🚀 Try them out and let us know!

Many thanks to @Greg Landrum, Marc and Ali! 💛