Clustering of synthetic routes using tree edit distance
dataset
posted on 2021-04-22, 13:34 authored by Samuel GenhedenSamuel Genheden, Ola Engkvist, Esben Jannik BjerrumResults from AiZynthFinder tool that is presented in a preprint with the same name as this document.
The dataset can be loaded in python with:
import pandas as pd
data = pd.read_hdf("finder_output.hdf5", "table")
