dbclus clustering algorithm

• Darko Butina, J.Chem.Inf.Comput.Sci., 1999, 39, 747-750

• Clustering algorithm based on Daylight fingerprints and Tanimoto similarity index

• Clustering is driven by tanimoto similarity to be achieved within the clusters as the only argument to the algorithm

• Used throughout this presentation, including its use as

  • similarity matrix calculator,training/test set selection, design of representative sets, data pre-processing before QSAR work, quality control of experimental in vitro data

Notes: