Similarity to Molecules in the Training Set Is a Good Discriminator for Prediction Accuracy in QSAR

DOI Web Site 被引用文献2件
  • Robert P. Sheridan
    Molecular Systems Department, RY50S-100 Merck Research Laboratories, Rahway, New Jersey 07065, and Molecular Systems Department, WP53F-301 Merck Research Laboratories, West Point, Pennsylvania 19486
  • Bradley P. Feuston
    Molecular Systems Department, RY50S-100 Merck Research Laboratories, Rahway, New Jersey 07065, and Molecular Systems Department, WP53F-301 Merck Research Laboratories, West Point, Pennsylvania 19486
  • Vladimir N. Maiorov
    Molecular Systems Department, RY50S-100 Merck Research Laboratories, Rahway, New Jersey 07065, and Molecular Systems Department, WP53F-301 Merck Research Laboratories, West Point, Pennsylvania 19486
  • Simon K. Kearsley
    Molecular Systems Department, RY50S-100 Merck Research Laboratories, Rahway, New Jersey 07065, and Molecular Systems Department, WP53F-301 Merck Research Laboratories, West Point, Pennsylvania 19486

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