Cluster distribution of the molecules in the training datasets, using PP_desc and MDL Public Keys.
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https://figshare.com/articles/dataset/_Cluster_distribution_of_the_molecules_in_the_training_datasets_using_PP_desc_and_MDL_Public_Keys_/373750
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The clustering performed was a hierarchical clustering and the dendogram was cut at the point of maximal inertia loss.
创建时间：
2015-12-02
