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BESTox: A Convolutional Neural Network Regression Model Based on Binary-Encoded SMILES for Acute Oral Toxicity Prediction of Chemical Compounds.
Jiarui Chen
Hong-Hin Cheong
Shirley Weng In Siu
Published in:
AlCoB (2020)
Keyphrases
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chemical compounds
convolutional neural network
drug discovery
structural features
face detection
graph kernels
graph databases
regression model
biological networks
support vector
graph data
graph patterns
multi class
gaussian processes
social networks
subgraph isomorphism