Development of Neural Network QSPR Models for Hansch Substituent Constants. 1. Method and Validations.
Ting-Lan ChiuSung-Sau SoPublished in: J. Chem. Inf. Model. (2004)
Keyphrases
- neural network
- statistical model
- neural nets
- modeling method
- parameter estimation
- high accuracy
- cost function
- genetic algorithm
- feed forward neural networks
- input data
- clustering algorithm
- preprocessing
- dynamic programming
- computational complexity
- segmentation method
- image segmentation
- training algorithm
- linear model
- monte carlo simulation
- similarity measure
- prediction model
- statistical methods
- machine learning methods
- regression model
- detection method
- clustering method
- support vector machine svm
- model selection
- em algorithm
- training set
- significant improvement