QSAR 0.0.2

Python library for QSAR model from Juvena Machine Learning Team.

QSAR Library

The 'QSAR' package provides a simple python interfact for using Juvena QSAR deep learning model.

Links

    * QSAR @ PyPi_


Installation

Install on Linux, MacOS

.. code:: bash python3 -m install QSAR

.. note:: Read the User Guide_ and The Juvena QSAR Tutorial_ to learn more and to see the code examples on using the QSAR model as a library and as a command-line tool.

Update

- June 18: True Positives and True Negatives from Thach presentation:
   - TP: FGF2, FGF8, FGF9, FGF18, PTHrP, Ihh, Shh, Wnt1, Wnt3a, Wnt5a, Wnt5b, DLL-1
   - TN: TGFβ, TGF-β2, TGF-β3, BMP2, BMP4, BMP7, GDF5, Wnt4, Wnt8, Wnt9a, VEGF, IGF1, Frzb-1, triiodothyronine, thyroxine



License

This library package is distributed under the GNU Lesser General Public License v3 or later license.

.. _pip: https://pip.pypa.io .. _pypi: https://pypi.org/project/QSAR