QUBO-inspired Molecular Fingerprint for Chemical Property Prediction.
Koichiro YawataYoshihiro OsakabeTakuya OkuyamaAkinori AsaharaPublished in: Big Data (2022)
Keyphrases
- prediction accuracy
- drug discovery
- molecular level
- chemical reactions
- protein function prediction
- drug design
- prediction algorithm
- fingerprint authentication
- prediction error
- data sets
- chemical compounds
- prediction model
- virtual screening
- data mining
- regression model
- feature extraction
- three dimensional
- molecular structures