StandardMeasure
(Package: conformal) :
Default Nonconformity measure used in regression (ConformalRegression class)
Nonconformity measure used by default in the class ConformalRegression to calculate nonconformity scores (alpha). StandardMeasure implements the following nonconformity measure:
● Data Source:
CranContrib
● Keywords:
● Alias: StandardMeasure
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LogS
(Package: conformal) :
Small Molecule Solubility (LogS) Data
Aqueous solubility datas for 1,606 small molecules. PaDEL descriptors have been computed for these molecules. The data has been split into a training (70%) and a test (30%) set.
● Data Source:
CranContrib
● Keywords:
● Alias: LogS
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R reference class to create and visualize confidence intervals for individual predictions according to the conformal prediction framework.
● Data Source:
CranContrib
● Keywords:
● Alias: ConformalRegression-class
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expGrid
(Package: conformal) :
Exponential Grid Definition
The function defines an exponential series, which can be used, e.g. when defining the parameter space when training some models such as Support Vector Machines or Gaussian Processes.
● Data Source:
CranContrib
● Keywords:
● Alias: expGrid
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This function permits the calculation of an error model from (i) a training set, and (ii) a caret model trained on this set to predict the response variable of interest using cross-validation (point prediction model). The cross-validation predictions are extracted from the point prediction model. The errors in prediction for the cross-validation predictions are then calculated. These errors which serve as the response variable for the error model (i.e. the error model predicts errors in prediction). The error model uses as descriptors the same descriptors used to train the point prediction model. These descriptors are input to the function ErrorModel through the argument "x.train".
● Data Source:
CranContrib
● Keywords:
● Alias: ErrorModel
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LogSTest
(Package: conformal) :
Small Molecule Solubility (LogS) Data: solubility values for the datapoints in the test set
Solubility values for the datapoints in the test set.
● Data Source:
CranContrib
● Keywords:
● Alias: LogSTest
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LogSDescsTest
(Package: conformal) :
Small Molecule Solubility (LogS) Data: PaDEL descriptors for the test set
PaDEL descriptors have been computed for the test set.
● Data Source:
CranContrib
● Keywords:
● Alias: LogSDescsTest
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LogSDescsTrain
(Package: conformal) :
Small Molecule Solubility (LogS) Data: PaDEL descriptors for the taining set
PaDEL descriptors have been computed for the training set.
● Data Source:
CranContrib
● Keywords:
● Alias: LogSDescsTrain
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R reference class to calculate p.values for individual predictions according to the conformal prediction framework.
● Data Source:
CranContrib
● Keywords:
● Alias: ConformalClassification
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conformal
(Package: conformal) :
conformal: an R package to calculate prediction errors in the conformal prediction framework
conformal permits the calculation of prediction errors in the conformal prediction framework: (i) p.values for classification, and (ii) confidence intervals for regression. The package is coded using R reference classes (OOP).
● Data Source:
CranContrib
● Keywords:
● Alias: conformal, conformal-package
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