One molecular fingerprint to rule them all: drugs, biomolecules, and the metabolome.

Alice Capecchi Daniel Probst Jean-Louis Reymond

Published in: J. Cheminformatics (2020)

Keyphrases

drug design
drug discovery
virtual screening
three dimensional
rule learning
fingerprint recognition
fingerprint identification
active databases
association rules
rule sets
fingerprint classification
data mining
drug resistance
biological data
fingerprint images
fingerprint verification
molecular dynamics