The journey of a cheminformatics scientist
Building machine learning models for ADMET (Absorption, Distribution, Metabolism, Excretion, and Toxicity) predictions puts you on the front lines of drug discovery. It’s exciting work—pushing the boundaries of what’s possible, using algorithms to predict how molecules behave in the body. But the part they don’t tell you? The real battle isn’t in designing models or…
Today’s tutorial is on how to merge multiple datasets using the Pandas library in python. We will add new columns based on a key column, and we will also aggregate information for the same column names from various datasets. I have made five sample datasets (A1.csv, A2.csv, A3.csv, A4.csv, A5.csv) that we will be merging.…