ESP: A Method To Predict Toxicity and Pharmacological Properties of Chemicals Using Multiple MCASE Databases.
Gilles KlopmanSuman K. ChakravartiHao ZhuJulian M. IvanovRoustem D. SaiakhovPublished in: J. Chem. Inf. Model. (2004)
Keyphrases
- databases
- clustering method
- high accuracy
- synthetic data
- cost function
- significant improvement
- support vector machine
- high precision
- relational databases
- optimization method
- fully automatic
- detection method
- training data
- detection algorithm
- computationally efficient
- database
- mutual information
- theoretical analysis
- preprocessing
- classification accuracy
- similarity measure
- classification method
- decision trees
- probabilistic model
- multiresolution