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A generalizable definition of chemical similarity for read-across.
Matteo Floris
Alberto Manganaro
Orazio Nicolotti
Ricardo Medda
Giuseppe Mangiatordi
Emilio Benfenati
Published in:
J. Cheminformatics (2014)
Keyphrases
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distance measure
similarity measure
similarity metrics
distance function
similarity measurement
neural network
drug discovery
machine learning
clustering algorithm
euclidean distance
similarity function
edit distance
similarity metric
finding similar