Enabling rapid COVID-19 small molecule drug design through scalable deep learning of generative models.
Sam Ade JacobsTim MoonKevin McLoughlinDerek JonesDavid HysomDong H. AhnJohn C. GyllenhaalPythagoras WatsonFelice C. LightstoneJonathan E. AllenIan KarlinBrian Van EssenPublished in: Int. J. High Perform. Comput. Appl. (2021)
Keyphrases
- generative model
- deep learning
- drug design
- deep belief networks
- drug discovery
- probabilistic model
- unsupervised learning
- restricted boltzmann machine
- machine learning
- em algorithm
- weakly supervised
- protein structure prediction
- prior knowledge
- expectation maximization
- topic models
- protein protein interactions
- semi supervised
- object categories
- mental models
- active learning
- markov random field
- hierarchical models
- feature extraction
- information extraction
- high dimensional
- supervised learning
- graphical models