[Rdkit-discuss] proper technical term for generating virtual compounds with rdkit and smarts

2020-09-24 Thread Bennion, Brian via Rdkit-discuss
hello I have a paper in review and is intended for a large audience that has synthetic chemists, biologist and comp chem. One reviewer had issues with the term in-silico syntheses. I used rdkit and smarts reactions to generate large libraries of compounds for our research project. Is there a

[Rdkit-discuss] Pharmacophore fingerprint search

2020-09-24 Thread Marawan Hussien via Rdkit-discuss
Hello,I am trying to perform a pharmacophore similarity search using the RDKit implementation of the Pharmacophore fingerprint code.While reading the documentation, I came across this sentence:"In the RDKit scheme the bit ids in pharmacophore fingerprints are not hashed:"Does this mean each bit