3. Applications of Artificial Intelligence in Drug Design: Opportunities and Challenges

3.1. 1 Introduction: What Challenges Does Drug Design Face?

  • cost has increased dramatically

  • Around 80% of failures in clinical trials occur

    • insufficient efficacy or safety in patients.

https://cdn.jsdelivr.net/gh/xxzhai123/img/img2022-05-26_10-34.png

Many datasets have been gathered on the properties, reactions, and interactions of chemical compounds; however, this data is disproportionately focused on a small range of well-studied endpoints.