Feature request: number of chiral centers

[evert.homan_scilifelab.se]

Hi,

Would it be possible to add the Number of Chiral Centers to the RDKit Descriptor Calculation node?

Thanks/Evert

[greglandrum]

Hi Evert,

Sorry for the slow reply. 

Yes, that's certainly possible. I will put it on the list and we can take a look at adding the functionality to the next release of the RDKit nodes.

In the meantime, you can already calculate these values yourself using the Java Snippet node. It's one of the examples in this blog post: https://www.knime.org/blog/using-custom-data-types-with-the-java-snippet-node

Best,

-greg