Percentage of inaccuracy, AFE, and RMSE of IVIVE predictions for 11 data sets

SystemNumber of Compounds EvaluatedNumber of Inaccurate PredictionsAFERMSE
Brown et al. (2007)
 Hepatocytes3726 (70.3)4.56460.2
Hallifax et al. (2010)
 Microsomes6853 (77.9)5.23708.6
 Hepatocytes8960 (67.4)3.93137.7
Ito and Houston, (2005)
 Microsomes5245 (86.5)7.91337.0
McGinnity et al. (2004)a
 Hepatocytes4422 (50.0)1.494.1
Obach (1999)
 Microsomes (fub and fuinc)2913 (44.8)2.34.9
 Microsomes (fub)2922 (75.9)4.36.8
 Microsomes (no binding)2913 (44.8)1.54.3
Riley et al. (2005)b
 Microsomes3727 (73.0)3.32314.2
 Hepatocytes5638 (67.9)3.11356.5
 Hepatocytes (with serum)1414 (100.0)21.72124.3
Sohlenius-Sternbeck et al. (2010)c
 Microsomes (fub and fuinc)4470.03.85.8
 Hepatocytes (fub and fuinc)4689.05.98.0
 Microsomes (no binding)4441.00.56.1
 Hepatocytes (no binding)4641.00.85.4
  • a CLint data were evaluated.

  • b CLint, ub, in vivo data were evaluated.

  • c Individual values for predictions with well stirred model were not presented, only summary statistics.