Metadata-Version: 2.4
Name: qsarcons
Version: 1.0.0
Summary: Consensus QSAR
Author-email: Dmitry Zankov <dvzankov@gmail.com>
License: MIT
Description-Content-Type: text/x-rst
Requires-Dist: rdkit
Requires-Dist: molfeat
Requires-Dist: scikit-learn
Requires-Dist: tqdm
Requires-Dist: huggingface_hub

QSARcons – a tool for searching optimal consensus of QSAR models
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``QSARcons`` is a package for finding the optimal consensus of QSAR models.
This project is motivated by the fact that there are many different chemical descriptors and machine learning methods
which can be combined into multiple QSAR models. So, a smart selection of the optimal subset of QSAR models (consensus)
can be reasonable for many applications.

Overview
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``QSARcons`` can be used for:

- Random consensus search
- Systematic consensus search
- Genetic consensus search

Installation
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``QSARcons`` can be installed using conda/mamba package managers.

.. code-block:: bash

    pip install qsarcons

Tutorial
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See an example in `tutorial <notebooks/Notebook_1_LogS_pipeline.ipynb>`_ .
    
    


