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Chemception: A Deep Neural Network with Minimal Chemistry Knowledge Matches the Performance of Expert-developed QSAR/QSPR Models.
Garrett B. Goh
Charles Siegel
Abhinav Vishnu
Nathan Oken Hodas
Nathan Baker
Published in:
CoRR (2017)
Keyphrases
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neural network
prior knowledge
domain experts
neural network model
formal models
prediction model
probabilistic model
experimental data
cascade correlation
human experts
statistical models
knowledge acquisition
domain knowledge
pattern recognition
fuzzy logic
expert knowledge
expert systems
knowledge base