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Non-parametric synergy modeling of chemical compounds with Gaussian processes.
Yuliya Shapovalova
Tom Heskes
Tjeerd Dijkstra
Published in:
BMC Bioinform. (2022)
Keyphrases
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gaussian processes
chemical compounds
graph kernels
gaussian process
gaussian process models
multi task
hyperparameters
model selection
drug discovery
machine learning
reinforcement learning
semi supervised
regression model
latent variables
structural features