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Learning To Predict Reaction Conditions: Relationships between Solvent, Molecular Structure, and Catalyst.
Eric Walker
Joshua Kammeraad
Jonathan Goetz
Michael T. Robo
Ambuj Tewari
Paul M. Zimmerman
Published in:
J. Chem. Inf. Model. (2019)
Keyphrases
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molecular structure
learning algorithm
learning process
active learning
online learning
supervised learning
learning systems
inductive learning
reinforcement learning
background knowledge
learning tasks
knowledge acquisition
empirical studies
incremental learning
computer programming