Dissimilarity-based compound selection techniques

Summary

Molecular dissimilarity selection techniques in use at Pharmacia & Upjohn are described and illustrated. Applications of the technology in relation to (i) database browsing, (ii) compound subset selection, (iii) strategic compound purchasing, (iv) combinatorial chemistry support, and (v) compound collection comparison are discussed.

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Correspondence to Michael S. Lajiness.

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Lajiness, M.S. Dissimilarity-based compound selection techniques. Perspectives in Drug Discovery and Design 7, 65–84 (1996). https://doi.org/10.1007/BF03380182

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Key words

  • compound selection, dissimilarity
  • strategic compound purchase