Hi everyone, I've tried to match RDKit & CDK descriptors lists. But I'm not sure if it's 100% correct.
There are several ones that would be nice to clone into RDKit (APol,BPol,MomentOfInertia,GravitationalIndex,EccentricConnectivityIndex,PetitjeanNumber,PetitjeanShapeIndex) ? Best regards, Thank you. Guillaume Dr. Guillaume GODIN Project Manager Innovation CORPORATE R&D DIVISION DIRECT LINE +41 (0)22 780 3645 MOBILE +41 (0)79 536 1039 Firmenich SA RUE DES JEUNES 1 | CASE POSTALE 239 | CH-1211 GENEVE 8 ********************************************************************** DISCLAIMER This email and any files transmitted with it, including replies and forwarded copies (which may contain alterations) subsequently transmitted from Firmenich, are confidential and solely for the use of the intended recipient. The contents do not represent the opinion of Firmenich except to the extent that it relates to their official business. **********************************************************************
rdkit-cdk desc.csv
Description: rdkit-cdk desc.csv
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