A software for building and validating QSAR models
Project description
QSARModelingPy
QSARModelingPy is an open-source computational package to generate and validate QSAR models.
What you can do with QSARModelingPy
- Select variables through either OPS or Genetic Algorithm
- Dimensionality reduction:
- Correlation cut
- Variance cut
- Autocorrelation cut
- Validate your models:
- Cross Validation
- y-randomization / Leave-N-out
- External Validation
Usage
After installing this package with:
$ pip install qsarmodelingpy-gui
Just launch the application:
$ qsarmodelingpy
or:
$ python -m qsarmodelingpy-gui
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