RSC CICAG Open Source Tools for Chemistry :- Introduction to Cheminformatics and Machine Learning

Part of the RSC CICAG Open Chemical Sciences workshop series. Workshop given by Pat Walters () 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 on the 19th are here If there are any problems, you should be able to just reload the page. The code and notebooks are in a GitHub repo