MTD-PLS: A PLS Variant of the Minimal Topologic Difference Method. III. Mapping Interactions between Estradiol Derivatives and the Alpha Estrogenic Receptor.
Ludovic KuruncziEdward SeclamanTudor I. OpreaLuminita CrisanZeno SimonPublished in: J. Chem. Inf. Model. (2005)
Keyphrases
- experimental evaluation
- significant improvement
- cost function
- multiscale
- partial least squares regression
- partial least squares
- detection algorithm
- prior knowledge
- pairwise
- input data
- synthetic data
- high precision
- probabilistic model
- high accuracy
- edge detection
- feature set
- model selection
- computationally efficient
- optimization algorithm
- preprocessing
- clustering method
- computational complexity
- neural network