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Measuring CAMD technique performance: A virtual screening case study in the design of validation experiments
Authors:Andrew C. Good   Mark A. Hermsmeier  S.A. Hindle
Affiliation:(1) Bristol-Myers Squibb, 5 Research Parkway, Wallingford, CT 06492, USA;(2) Bristol-Myers Squibb, NJ Princeton, P.O. Box 4000, 08543, USA;(3) BioSolveIT GmbH, An der Ziegelei 75, Sankt Augustin, D-53757, Germany
Abstract:
Keywords:atom pairs  chemotypes  Daylight  fingerprints  Ftrees  pharmacophores  validation  virtual screening
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