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qsarmodelingpy-gui

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qsarmodelingpy-gui

A software for building and validating QSAR models

pipPyPI
Version
0.2.5
Maintainers
1

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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