Enabling faster drug discovery through machine learning

In this PhD project, we will extend state-of-the-art artificial intelligence algorithms to help discover new drug molecules. The springboard for the research is a unique collaboration between Prof Jonathan Hirst (Chemistry), Prof Thomas Gaertner (Computer Science) at the University of Nottingham and the pharmaceutical company GlaxoSmithKline (GSK), which is synthesizing and testing new molecules for effectiveness as a potential treatment for a complex and chronic lung disease, idiopathic pulmonary fibrosis. We will develop new AI methods, focused on the specific demands of drug discovery.

We will assess approaches such as long short-term memory, variational autoencoders, convolutional neural networks and Bayesian kernel methods. Starting from a firm theoretical foundation, we expect to derive algorithms that are more successful and more generally applicable than earlier work. Furthermore, we will evaluate the models performance by selecting a subset of predicted structures, synthesising them and testing them in established assays at GSK.

This is a project that is part of the MRC-funded doctoral training partnership between the universities of Birmingham, Leicester and Nottingham. Funding covers full tuition fees and stipend (for living expenses) in line with the RCUK levels for 3.5 years.

Please note that to be eligible for a full award (stipend and fees) applicants need to be British nationals who have lived in the UK all of their lives, also eligible are non-British nationals who have settled status (i.e. no restrictions on how long they can stay in the UK) AND have been resident in the UK for 3 years immediately prior to the date of the start of the course. EU nationals, EEA and Swiss nationals (EEA migrant workers) should refer to the full RCUK guidelines to check eligibility as they may be eligible for a fees only award:
https://mrc.ukri.org/skills-careers/studentships/studentship-guidance/student-eligibility-requirements/

Academic requirements
Those who have a 1st or a 2.1 undergraduate degree in a relevant field are eligible.

Those who have a 2.2 and an additional masters degree (Merit or Distinction) in a relevant field may be eligible. Those who have a 2.2 and at least three years postgraduate experience in a relevant field may be eligible. Those with degrees abroad (perhaps as well as postgraduate experience) may be eligible if their qualifications are deemed equivalent to any of the above.

Applications
Please make a formal application via https://www.birmingham.ac.uk/schools/mds-graduate-school/scholarships/mrc-impact/index.aspx.

Informal enquiries may be addressed to Prof Jonathan Hirst ([Email Address Removed]).

Closing date: Thursday 7th June, 2018

Supervisors: Prof Jonathan Hirst (Chemistry, University of Nottingham) [Email Address Removed] ; Prof Thomas Gaertner (Computer Science, University of Nottingham) [Email Address Removed] ; Richard Hatley (Translational Pharmacology, GSK) ; Adam Taylor (Systems Biology, GSK) [Email Address Removed]