Federated kMeans, PCA+kMeans, and LSH methods can approximate centralized clustering for molecular data diversity when evaluated with chemistry-informed metrics like the introduced SF-ICF.
Chemmine tools: an online service for analyzing and clustering small molecules
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Insights into the Unknown: Federated Data Diversity Analysis on Molecular Data
Federated kMeans, PCA+kMeans, and LSH methods can approximate centralized clustering for molecular data diversity when evaluated with chemistry-informed metrics like the introduced SF-ICF.