Dear Joanna, There is an active RDKit discussion on "Improving the RDKit's support for organometallics Part 1: Use cases" here:
https://github.com/rdkit/rdkit/discussions/3618 Hope that helps. Vin ________________________________ From: ITS RDC <[email protected]> Sent: Friday, June 4, 2021 7:22 AM To: [email protected] <[email protected]> Subject: [EXTERNAL] [Rdkit-discuss] RDkit support on computing descriptors for organometallic complexes Dear all, May I ask if how extensive is the support of Rdkit in computing molecular descriptors for organometallic complexes especially transition metals? Thank you. Joanna
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