An introduction to cheminformatics, data analysis and machine learning
The video of the latest RSC CICAG Open Source Tools for Chemistry is now online.
Part of the RSC CICAG Open Chemical Sciences workshop series. Workshop given by Pat Walters (http://practicalcheminformatics.blogspot.com) entitled "An introduction to cheminformatics, data analysis and machine learning".
A hands-on workshop on building and validating ML models, including:
- Initial exploratory data analysis
- ML model building
- Model evaluation
- Making predictions on a larger data set
The notebooks for the tutorial are here https://mybinder.org/v2/gh/PatWalters/chem_tutorial/HEAD. If there are any problems, you should be able to just reload the page. The code and notebooks are in a GitHub repo.
The video is here YouTube.
More workshop videos are available on the RSC CICAG playlist