Cluster-based selection

Summary

In the pharmaceutical industry, the use of appropriately selected compound subsets plays an important role in enhancing the information return in areas such as low-throughput biological screening, combinatorial synthesis, and compound acquisition. Cluster-based selection methods have been employed and have proven useful in accomplishing this task.

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Correspondence to James B. Dunbar Jr..

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Dunbar, J.B. Cluster-based selection. Perspectives in Drug Discovery and Design 7, 51–63 (1996). https://doi.org/10.1007/BF03380181

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Key words

  • clustering
  • compound acquisition
  • compound selection
  • molecular fingerprint