Model File Formats

Model File Formats

ADMET Predictor makes use of several different kinds of model specification file. Such files are generated by ADMET Modeler when you build a model, but they can in principle also be created and edited manually. If user chooses any method of test set selection other than Kohonen mapping, no .som file will be generated.

Kohonen Self-Organizing Map file (.som)

[ANN model definition file (.ann)]

ANN n[etwork file (.net)]

[SVM model definition file (.svm)]

KPLS model definition (.kpl)

MLR model definition file (.pls)

Risk models have their own tab-delimited file format (.ro5). These files may look simple, but we do not recommend creating or editing them manually. Please see section Adding a New Risk Model and the related tutorial for details on how to generate them.