Clustering of Synthetic Routes Using Tree Edit Distance.

Samuel Genheden Ola Engkvist Esben Jannik Bjerrum

Published in: J. Chem. Inf. Model. (2021)

Keyphrases

tree edit distance
clustering algorithm
clustering method
k means
edit distance
dissimilarity measure
data points
structural similarity
pattern recognition
dynamic programming
multi dimensional
distance metric
relaxation labeling