Sign in to unlock AI Chat and more features
One molecular fingerprint to rule them all: drugs, biomolecules, and the metabolome
Citations:
288
References:
51
Abstract
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 molecules.
Keywords
2020
Article
Open Access
Publisher
2-Y Citation Average
6.793
Language
Country
One molecular fingerprint to rule them all: drugs, biomolecules, and the metabolome
Citations:
288
References:
51
Abstract
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 molecules.
Keywords
2020
Article
Open Access
Publisher
2-Y Citation Average
6.793
Language
Country