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Publication Detail
Genetic programming in data mining for drug discovery
  • Publication Type:
    Chapter
  • Authors:
    Langdon WB, Barrett SJ
  • Publisher:
    Springer-Verlag Berlin and Heidelberg GmbH & Co. K
  • Publication date:
    2004
  • Pagination:
    211, 235
  • Chapter number:
    163
  • Editors:
    Ghosh A,Jain L
  • ISBN-10:
    3540223703
  • Book title:
    Evolutionary Computing in Data Mining
  • Notes:
    Imported via OAI, 7:29:01 21st May 2005; Imported via OAI, 7:29:01 2nd Aug 2005
Abstract
Genetic programming (GP) is used to extract from rat oral bioavailability(OB) measurements simple, interpretable and predictive QSAR modelswhich both generalise to rats and to marketed drugs in humans. ReceiverOperating Characteristics (ROC) curves for the binary classier producedby machine learning show no statistical dierence between rats (albeitwithout known clearance dierences) and man. Thus evolutionary computingoers the prospect of in silico ADME screening, e.g. for \virtual"chemicals, for pharmaceutical drug discovery.
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