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ChemBO: Bayesian Optimization of Small Organic Molecules with Synthesizable Recommendations.
Ksenia Korovina
Sailun Xu
Kirthevasan Kandasamy
Willie Neiswanger
Barnabás Póczos
Jeff Schneider
Eric P. Xing
Published in:
CoRR (2019)
Keyphrases
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optimization problems
optimization algorithm
maximum likelihood
recommender systems
bayesian networks
small number
neural network
decision trees
optimization model
discrete optimization
three dimensional
probabilistic model
optimization method
global optimization
bayesian learning