A Method for Visualizing Recurrent Topological Substructures in Sets of Active Molecules.
Robert P. SheridanMichael D. MillerPublished in: J. Chem. Inf. Comput. Sci. (1998)
Keyphrases
- high accuracy
- cost function
- segmentation method
- detection method
- significant improvement
- machine learning
- multiscale
- preprocessing
- pairwise
- optimization algorithm
- computationally efficient
- fully automatic
- neural network
- detection algorithm
- theoretical analysis
- computational cost
- experimental evaluation
- computational complexity
- data structure
- image processing