Open-architecture Implementation of Fragment Molecular Orbital Method for Peta-scale Computing
Toshiya TakamiJun MakiJun-ichi OobaYuichi InadomiHiroaki HondaTaizo KobayashiRie NogitaMutsumi AoyagiPublished in: CoRR (2007)
Keyphrases
- open architecture
- high accuracy
- support vector machine svm
- optimization method
- synthetic data
- detection method
- experimental evaluation
- computational cost
- theoretical analysis
- fully automatic
- feature set
- computationally efficient
- data sets
- optimization algorithm
- clustering method
- cost function
- classification method
- high precision
- significant improvement
- feature selection