De Novo Direct Inverse QSPR/QSAR: Chemical Variational Autoencoder and Gaussian Mixture Regression Models.
Kohei NemotoHiromasa KanekoPublished in: J. Chem. Inf. Model. (2023)
Keyphrases
- regression model
- gaussian mixture
- drug discovery
- mixtures of gaussians
- em algorithm
- gaussian mixture model
- closed form
- expectation maximization
- regression methods
- regression analysis
- covariance matrix
- model selection
- mixture model
- density estimation
- probability density function
- gaussian process
- multivariate regression
- regression trees
- image segmentation
- maximum likelihood
- data mining
- neural network
- optical flow
- prior knowledge
- artificial neural networks
- nearest neighbor
- variational methods
- image processing