<https://stackoverflow.com/posts/68168491/timeline>
Hi, I'm new to RDKit. I need to do a cluster analysis of a database of compounds. I've downloaded 191K compounds from ZINC database in 3D mol2 format and now I need to obtain fingerprints using RDKit. First, I don't understand if it's possible to convert mol2 format into fingerprints and - above all - what kind of fingerprints is better for this type of analysis (I need to understand what chemotypes I have in the database in order to - eventually - find some representatives). Does anyone have suggestions?(practical suggestions are really appreciated, too). Thanks
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