Quantum Mechanical Computations on Very Large Molecular Systems: The Local Self-Consistent Field Method.
Vincent ThéryDaniel RinaldiJean-Louis RivailBernard MaigretGyörgy G. FerenczyPublished in: J. Comput. Chem. (1994)
Keyphrases
- preprocessing
- high accuracy
- detection method
- experimental evaluation
- prior knowledge
- cost function
- computational cost
- distributed systems
- computationally efficient
- fully automatic
- expert systems
- support vector machine
- management system
- neural network
- feature set
- mutual information
- optimization algorithm
- high precision