Molecule Fingerprints and Visualization

Jason Biggs

Molecule fingerprints are a method of representing a molecule as a sequence of bits, either on or off, that still encodes important information about the molecular structure. These fingerprints can be used for a "molecular distance function" for substructure screening or as inputs to machine learning functions. This talk will introduce the concept of molecule fingerprints and show the different fingerprint types, and showcase many enhancements to MoleculePlot.

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