MLRMPA-package

MLRMPA


This package allows to perform Multiple Linear Regression Model Population Analysis. It contains
 quickly deleting non-information and random selecting descriptors from the clustered descriptors and 
 generating 2D-QSAR models, based on Monte Carlo Sampling technique and stepwise MLR.
 As a result a pool of models can be developed for modeling and prediction. Meanwhile, the 
 predictive ability and robustness of the developed models will be illustrated using the following
 validation techniques: leave-one-out (LOO) cross-validation procedures, leave-group-out (LGO) 
 cross-validation procedures, squared correlation coefficient of test set and validation through 
 an external test set.


 MLRMPA 

This package provides Multilinear Regression Model Population
Analysis to build a pool of models between quantitative activity and chemical
descriptors. Also some useful model validation functions. Contains all
molecular descriptors of 101 organic compounds and acticity dataset.

MLRMPA-package: Multiple Linear Regression Model Population Analysis

Description

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Details

References

See Also