Molecular Field Topology Analysis Method in QSAR Studies of Organic Compounds.
Vladimir A. PalyulinEugene V. RadchenkoNikolai S. ZefirovPublished in: J. Chem. Inf. Comput. Sci. (2000)
Keyphrases
- detection method
- high accuracy
- cost function
- probabilistic model
- statistical analysis
- support vector machine
- similarity measure
- classification method
- synthetic data
- model selection
- feature set
- edge detection
- experimental evaluation
- significant improvement
- denoising
- feature vectors
- pairwise
- computationally efficient
- segmentation algorithm
- preprocessing
- multiscale
- genetic algorithm
- experimental data
- topology preserving