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
1 maintainer
Metadata
1 maintainer
Release files for qsarmodelingpy-gui 0.2.5
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Source distribution (sdist)
| File | Size | Uploaded | Provenance | Actions |
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| qsarmodelingpy-gui-0.2.5.tar.gz | 41.6 kB | Without provenance | Details for qsarmodelingpy-gui-0.2.5.tar.gz |
Built distribution (wheel)
| File | Interpreter | ABI | Platform | Actions Reset |
|---|---|---|---|---|
| qsarmodelingpy_gui-0.2.5-py3-none-any.whl | Python 3 | none | any | Details for qsarmodelingpy_gui-0.2.5-py3-none-any.whl |
Total release size: 93.9 kB
Release files / qsarmodelingpy-gui-0.2.5.tar.gz
| Download URL | qsarmodelingpy-gui-0.2.5.tar.gz |
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| Size | 41.6 kB |
| Tags | Source |
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Release files / qsarmodelingpy_gui-0.2.5-py3-none-any.whl
| Download URL | qsarmodelingpy_gui-0.2.5-py3-none-any.whl |
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| Size | 52.4 kB |
| Tags | Python 3 |
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