NIPALSTREE: A New Hierarchical Clustering Approach for Large Compound Libraries and Its Application to Virtual Screening

Alexander Böcker, Gisbert Schneider, Andreas Teckentrup. NIPALSTREE: A New Hierarchical Clustering Approach for Large Compound Libraries and Its Application to Virtual Screening. Journal of Chemical Information and Computer Sciences, 46(6):2220-2229, 2006. [doi]

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