Extract macro cyclic compounds from ChEMBLDB with rdkit_cartridge #chemoinformatics #RDKit

As you know, RDKit has really useful postgreSQL cartridge. So it’s easy to do substructure or similarity search of query structure from postgresql ChEMBLDB. But I don’t know how to retrieve only macrocyclic compound from ChEMBLDB with the cartridge. I searched RDKit mailing list and got good answer! Thanks for the community. This is theContinue reading “Extract macro cyclic compounds from ChEMBLDB with rdkit_cartridge #chemoinformatics #RDKit”

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