Computing Extended Connectivity Fingerprints
Richard L. Apodaca · 2019
A fingerprint is a useful kind of low-resolution molecular representation. Fingerprints come in a many forms and have been applied to a diverse range of problems over the last few decades. Extended Connectivity Fingerprints (ECFPs, or "Circular Fingerprints") offer a number of advantages over other schemes. This article describes the structure and generation of ECFPs at a high level.