FMODB: The World's First Database of Quantum Mechanical Calculations for Biomacromolecules Based on the Fragment Molecular Orbital Method.
Daisuke TakayaChiduru WatanabeShunpei NagaseKikuko KamisakaYoshio OkiyamaHirotomo MoriwakiHitomi YukiTomohiro SatoNoriyuki KuritaYoichiro YagiTatsuya TakagiNorihito KawashitaKenichiro TakabaTomonaga OzawaMidori Takimoto-KamimuraShigenori TanakaKaori FukuzawaTeruki HonmaPublished in: J. Chem. Inf. Model. (2021)
Keyphrases
- database
- objective function
- detection method
- database systems
- experimental evaluation
- pairwise
- databases
- synthetic data
- input data
- classification accuracy
- query language
- prior knowledge
- high precision
- relational databases
- preprocessing
- multiscale
- bayesian networks
- optimization algorithm
- fully automatic
- dynamic programming
- significant improvement
- query processing
- multiresolution
- similarity measure