Values of Substituted Phenols from Atomic Charges: Comparison of Different Quantum Mechanical Methods and Charge Distribution Schemes.
Radka Svobodová VarekováStanislav GeidlCrina-Maria IonescuOndrej SkrehotaMichal KuderaDavid SehnalTomás BouchalRuben AbagyanHeinrich J. HuberJaroslav KocaPublished in: J. Chem. Inf. Model. (2011)
Keyphrases
- significant improvement
- search algorithm
- probability distribution
- computationally expensive
- qualitative and quantitative
- data mining
- social networks
- reinforcement learning
- objective function
- support vector
- preprocessing
- artificial neural networks
- statistical analysis
- machine learning methods
- density estimation
- power law