An optimum strategy for solution chemistry using semiempirical molecular orbital method: Importance of description of charge distribution.
Norio TakenakaYoshiyuki KoyanoYukinori NakagawaMasataka NagaokaPublished in: J. Comput. Chem. (2010)
Keyphrases
- optimization method
- high accuracy
- data sets
- experimental evaluation
- computational cost
- optimization procedure
- mathematical model
- search strategy
- segmentation method
- high precision
- cost function
- global optimum
- closed form
- classification method
- detection method
- classification accuracy
- microarray
- gaussian distribution
- model selection
- search procedure
- numerical methods
- initial solution