So that we can ensure that all Members of the Churchill College community stay healthy and safe, things will look a little different when you next come to College. But you can find everything you need to know on our new Coronavirus Guidance page From the latest research from the University to what you should do if you have symptoms, and from the provision of College services to minimising the risk of transmission, you'll find all the answers to your questions here.
Drug discovery today is an expensive and time-consuming process.
In this talk, Vikram focuses on the first step: the identification of small molecule ligands that tightly bind to target proteins of interest. Experimental methods like high-throughput screening are prone to failure since they can only feasibly screen a small portion of chemical space. Due to the emergence of large databases of screening data, machine learning approaches to this problem have become popular. However, many machine learning approaches that supposedly worked very well, in theory, have failed in practice.
Vikram outlines some of the more common machine learning approaches to this problem and explain some of the pitfalls that caused problems for these approaches.