Welcome to Admet-XSpec's documentation!
=======================================

**ADMET-XSpec** is an open-source tool that facilitates systematic
cross-species data integration for training ADMET (*Absorption,
Distribution, Metabolism, Excretion, and Toxicity*) prediction models.
The tool is designed to help researchers assess and understand the
translatability of ADMET parameters measured in non-human assays
in the context of human drug development.

ADMET-XSpec implements a comprehensive workflow that includes data preprocessing,
feature engineering, model training, and evaluation. ADMET-XSpec allows for the
evaluation of predictive models trained on human data augmented by non-human
data points, leveraging a selection of machine learning algorithms, feature
extraction techniques and additional data preprocessing steps.

Our source code is hosted on Github: the `ADMET-XSpec repository <https://github.com/hubertrybka/admet-prediction>`_

.. note::

   This project is under active development.
   We expect to increment and restructure over the following months, and
   cannot guarantee the stability of all interfaces.

.. toctree::
   :maxdepth: 2
   :caption: Contents:

   overview/index
   quick_start/index
   guides/index
   api/index