Improving Chemical Autoencoder Latent Space and Molecular De novo Generation Diversity with Heteroencoders.
Esben Jannik BjerrumPublished in: CoRR (2018)
Keyphrases
- latent space
- drug discovery
- latent variables
- gaussian process
- low dimensional
- dimensionality reduction
- lower dimensional
- manifold learning
- generative model
- matrix factorization
- feature space
- gaussian process latent variable models
- parameter space
- high dimensional
- gaussian processes
- dimension reduction
- distance metric
- transfer learning
- image classification
- probabilistic model
- data analysis