Comparing Classification Models - You’re Probably Doing It Wrong
Practical Cheminformatics
NOVEMBER 27, 2023
In my last post , I discussed benchmark datasets for machine learning (ML) in drug discovery and several flaws in widely used datasets. In this installment, I’d like to focus on how methods are compared. Every year, dozens, if not hundreds, of papers present comparisons of ML methods or molecular representations. These papers typically conclude that one approach is superior to several others for a specific task.
Let's personalize your content