rdkit.ML.KNN.KNNModel module

Define the class _KNNModel_, used to represent a k-nearest neighbhors model

class rdkit.ML.KNN.KNNModel.KNNModel(k, attrs, dfunc, radius=None)

Bases: object

This is a base class used by KNNClassificationModel and KNNRegressionModel to represent a k-nearest neighbor predictor. In general one of this child classes needs to be instantiated.

_KNNModel_s can save the following pieces of internal state, accessible via

standard setter/getter functions - the child object store additional stuff:

1. _Examples_: a list of examples which have been predicted (either classified

   or values predicted)

2. _TrainingExamples_: List of training examples (since this is a KNN model these examples

   along with the value _k_ below define the model)

3. _TestExamples_: the list of examples used to test the model

4. _k_: the number of closest neighbors used for prediction

GetExamples()

GetName()

GetNeighbors(example)

Returns the k nearest neighbors of the example

GetTestExamples()

GetTrainingExamples()

SetExamples(examples)

SetName(name)

SetTestExamples(examples)

SetTrainingExamples(examples)