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Current application of conformal prediction in drug discovery

Two useful applications
  • Ernst AhlbergEmail author
  • Oscar Hammar
  • Claus Bendtsen
  • Lars Carlsson
Article

Abstract

We present two applications of conformal prediction relevant to drug discovery. The first application is around interpretation of predictions and the second one around the selection of compounds to progress in a drug discovery project setting.

Keywords

Drug discovery Conformal prediction Interpretation 

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Copyright information

© Springer International Publishing Switzerland 2017

Authors and Affiliations

  1. 1.Predictive Compound ADME & Safety, Drug Safety & MetabolismAstraZeneca, Innovative Medicines & Early DevelopmentMölndalSweden
  2. 2.Quantitative Biology, Discovery SciencesAstraZeneca, Innovative Medicines & Early DevelopmentMölndalSweden
  3. 3.Quantitative Biology, Discovery SciencesAstraZeneca, Innovative Medicines & Early DevelopmentCambridgeUK

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