An Empirical Method of Structure-Activity Correlation for Polysubstituted Cyclic Compounds Using Wiswesser Line Notation.
George W. AdamsonDavid BawdenPublished in: J. Chem. Inf. Comput. Sci. (1976)
Keyphrases
- significant improvement
- mutual information
- computationally efficient
- correlation coefficient
- objective function
- tree structure
- dynamic programming
- detection method
- high precision
- prior knowledge
- segmentation method
- clustering method
- theoretical analysis
- probabilistic model
- cross correlation
- optimization algorithm
- data mining
- computational cost
- experimental evaluation
- k means
- preprocessing
- similarity measure
- feature extraction