DrugBank Online: A How‐to Guide
Christen M. Klinger, Jordan Cox, Denise So, Teira Stauth, Michael Wilson, Alex Wilson, Craig Knox · Methods and principles in medicinal chemistry · 2023
This chapter provides an overview of the DrugBank database, with a focus on the data and tools freely available as a part of DrugBank Online. The chapter begins with a brief introduction to modern drug discovery and the opportunities afforded by, and challenges associated with, computational methods. It goes on to highlight the breadth of data contained within DrugBank using key datasets as examples. The practical use of DrugBank Online is demonstrated via several general protocols and examples of their applications, followed by a discussion of the use of DrugBank in the context of machine learning. The chapter concludes by highlighting some of the research and insights facilitated by DrugBank data to date, along with future opportunities for DrugBank and drug discovery as a whole.