.. _bde_training_data:

Generate ML Training Data for Bond Dissociation Energy Prediction Model (10:33)
=================================================================================

This example outlines a workflow that generates new training data for the model described in
the tutorial :ref:`ml_alfabet`. For more details see the following reference:

St. John, P.C.; Guan, Y.; Kim, Y.; Kim, S.; Paton, R.S. (2020):
**Prediction of organic homolytic bond dissociation enthalpies at near chemical
accuracy with sub-second computational cost**. *Nature Communications*. https://doi.org/10.1038/s41467-020-16201-z

*Full 1080p HD resolution, captions and full-screen available through menu on the bottom right of the video*

.. raw:: html

   <div style="position: relative; padding-bottom: 56.25%; height: 0; overflow: hidden; max-width: 100%; height: auto;">
        <iframe src="https://www.youtube.com/embed/DeYaj9QK2no" frameborder="0"
           allowfullscreen style="position: absolute; top: 0; left: 0; width: 100%; height: 100%;">
        </iframe>
   </div>