Diversifying chemical libraries with generative topographic mapping.
Arkadii I. LinBernd BeckDragos HorvathGilles MarcouAlexandre VarnekPublished in: J. Comput. Aided Mol. Des. (2020)
Keyphrases
- generative topographic mapping
- data clustering
- dimension reduction
- density estimation
- self organizing maps
- em algorithm
- semi supervised
- data mining framework
- manifold learning
- low dimensional
- geodesic distance
- dimensionality reduction
- pairwise
- principal component analysis
- real world
- model selection
- knowledge discovery
- preprocessing
- training data
- data mining