The journey of a cheminformatics scientist
Please check out the previous blog posts from this series if you haven’t done so already: Part 1 algorithm for k-fold Cross-Validation Part 2A of the Nested Cross-Validation & Cross-Validation Series where I went through a python tutorial on implementing k-fold CV regressors using random forest (RF) from scikit-learn with a simple cheminformatics dataset with descriptors…
This is part 2A of the Nested Cross-Validation & Cross-Validation Series. I will go through a python tutorial on implementing k-fold CV regressors using random forest (RF) from scikit-learn with the first dataset: (A) a simple cheminformatics dataset with descriptors and endpoints of interest. In Part 2B, I will cover the same python tutorial for…