Article

One Molecular Fingerprint to Rule them All: Drugs, Biomolecules, and the Metabolome

2020-03-18

Abstract excerpt

<h4>Background: </h4> : Molecular fingerprints are essential cheminformatics tools for virtual screening and mapping chemical space. Among the different types of fingerprints, substructure fingerprints perform best for small molecules such as drugs, while atom-pair fingerprints are preferable for large molecules such as peptides. However, no available fingerprint achieves good performance on both classes of m...

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Literature Corpus work: 1cb7230e-1f2b-5a86-9711-36d499d21e62
DOI: 10.26434/chemrxiv.11994630.v1

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