Physics-Based Method for Modeling Passive Membrane Permeability and Translocation Pathways of Bioactive Molecules.
Andrei L. LomizeIrina D. PogozhevaPublished in: J. Chem. Inf. Model. (2019)
Keyphrases
- experimental evaluation
- significant improvement
- optimization method
- pairwise
- high precision
- cost function
- neural network
- clustering method
- computational cost
- modeling method
- image formation
- fully automatic
- synthetic data
- detection method
- dynamic programming
- training data
- three dimensional
- high accuracy
- mutual information
- detection algorithm
- classification accuracy
- prior knowledge
- multiresolution
- preprocessing
- objective function