A Practical Introduction to the Use of Molecular Fingerprints in Drug Discovery

<h2>Molecular fingerprints are used in drug discovery for many reasons. Today we will focus on their use in the prediction of drug binding affinities.</h2> <p>Molecular fingerprints are a way to represent molecules as mathematical objects. By doing this, we can perform statistical analyses and/or machine learning techniques on the set of molecules to gain new insights that we could not gain as humans. One of the most common molecular fingerprinting methods is&nbsp;<strong>Extended Connectivity FingerPrinting (ECFP)&nbsp;</strong>which we will look at today.</p> <p><a href="https://towardsdatascience.com/a-practical-introduction-to-the-use-of-molecular-fingerprints-in-drug-discovery-7f15021be2b1"><strong>Learn More</strong></a></p>