QUBO-inspired Molecular Fingerprint for Chemical Property Prediction.

Koichiro Yawata Yoshihiro Osakabe Takuya Okuyama Akinori Asahara

Published in: CoRR (2023)

Keyphrases

drug discovery
prediction accuracy
drug design
prediction model
virtual screening
three dimensional
chemical reactions
prediction error
prediction algorithm
data sets
chemical compounds
molecular level
dna computing