Fréchet ChemNet Distance: A Metric for Generative Models for Molecules in Drug Discovery.
Kristina PreuerPhilipp RenzThomas UnterthinerSepp HochreiterGünter KlambauerPublished in: J. Chem. Inf. Model. (2018)
Keyphrases
- generative model
- drug discovery
- chemical compounds
- virtual screening
- pharmaceutical industry
- distance measure
- distance function
- probabilistic model
- distance metric
- discriminative learning
- early stage
- discriminative models
- em algorithm
- metric space
- prior knowledge
- face recognition
- semi supervised
- scientific data
- data mining tools
- similarity searching
- biological systems
- machine learning
- conditional random fields
- reinforcement learning
- language model
- discovery process
- scoring function
- biological networks
- data mining