Predicting partition coefficients for the SAMPL7 physical property challenge using the ClassicalGSG method.
Nazanin DonyapourAlex DicksonPublished in: J. Comput. Aided Mol. Des. (2021)
Keyphrases
- detection method
- synthetic data
- preprocessing
- significant improvement
- experimental evaluation
- high precision
- prior knowledge
- probabilistic model
- high accuracy
- computationally efficient
- fully automatic
- classification method
- optimization algorithm
- support vector machine svm
- edge detection
- energy function
- cost function
- basis functions
- feature selection
- learning algorithm