Composition of training and test set

Transport ModelMRP4BSEP
Training set total (inhibitors/noninhibitors)57 (34/23)171 (43/128)
Test set total (inhibitors/noninhibitors)29 (17/12)86 (22/64)
Pharmacophore training subseta99
Pharmacophore test setb77247
  • a Subset of drugs from the training set used to develop the pharmacophore.

  • b Drugs not included in the pharmacophore training set were moved to the test set.