Chemprop Application Case Study

Applying Deep Learning in Antibiotic Discovery

This case study explores how Chemprop was used to identify potential new antibiotics.

The work is based on the paper “A Deep Learning Approach to Antibiotic Discovery” by Stokes et al., published in Cell (2020). This study demonstrates the real-world importance of machine learning in drug discovery. Pharmaceutical companies often hesitate to invest in antibiotic development due to the high costs and risks involved. Many antibiotic candidates eventually fail due to resistance, making the process expensive and often unrewarding.