SMILES of the compounds (three centroids) found from the k-mean clustering.
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https://figshare.com/articles/dataset/SMILES_of_the_compounds_three_centroids_found_from_the_k-mean_clustering_/29732277
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SMILES of the compounds (three centroids) found from the k-mean clustering.
创建时间：
2025-07-31
