Machine Learning/AI Generative Modelling Specialist

The DDU is a fully integrated “Biotech style” drug discovery organisation with cutting edge facilities (http://www.drugdiscovery.dundee.ac.uk). We are passionate about tackling unmet medical need. We have two areas of activity: drug discovery for globally important neglected and emerging infectious diseases (including TB, malaria, coronaviruses), that affect millions of people across the world every year and Innovative Targets across a variety of different diseases.

We work to BioPharma philosophy and standards, incorporating a dynamic, goal driven project management strategy based on Target Product Profiles and Compound Selection Criteria. Our team of 130 scientists, has extensive experience of all aspects of drug discovery gained within the BioPharma industry. Our exceptional skill set within a university enables us to work with major BioPharma and technology companies and world-class Life Sciences research partners, to improve how high quality drug discovery is carried out for these diseases.

We are recruiting for a Machine Learning/AI Generative Modelling Specialist to join our Computational Chemistry Team led by Dr. Fabio Zuccotto. The position offers you an opportunity to grow your expertise and track record by having a key role in developing and implementing new computational methods for drug discovery. It also provides an opportunity to be a part of a world-leading university-based drug discovery group, gain an in-depth knowledge of the drug discovery process and contribute to delivering drug candidates that address major global diseases.

The team (currently 10 people) offers a multicultural environment and comprises a variety of computational chemistry backgrounds (molecular modelling, molecular dynamics, quantum mechanics, machine learning, chemoinformatics, artificial intelligence). The team is fully embedded in the drug discovery process providing industry standard molecular modelling solutions and is developing a platform for compounds optimisation combining quantum mechanics, machine learning and artificial intelligence generative approaches. The Team benefits from HPC capabilities, industry standard molecular modelling software (Schrodinger, Optibrium, Molecular Discovery) and a wide portfolio of additional computational tools.

The successful candidate will report to the Head of Computational Chemistry and will work on the application of Machine Learning and AI generative approaches in drug discovery and, together with the other Computational Chemists, will contribute to the further development of our compound optimisation platform. In particular:

• Apply ML/AI to accelerate the evolution of drug discovery hits to leads and identify opportunity for further development and process optimisation
• Collaborate within interdisciplinary discovery teams (internally and with external collaborators) to define project strategy, and drive execution
• Use timely decision making to ensure focus and delivery of key project objectives. Promote high levels of productivity and urgency

Skills and experience required:

• Highly motivated, self-directed individuals qualified with a PhD in Computational Chemistry or related subjects with a focus on ML/AI
• Knowledge of concepts related to drug discovery and development – good understanding of chemical structures, molecular descriptors and chemical space representations
• Knowledge of python programming
• Experience with high performance computing
• A strong knowledge of the latest innovations and technology in computational chemistry, and an openness to explore new methods for drug discovery
• The ability to properly report, organise and publish research data
• The willingness to contribute to scientific publications
• Strong solution-oriented attitude
• High motivation to learn
• Spirit of innovation and creativity
• Good time and priority management
• Ability to work independently, and in close collaboration with in-house discovery scientists and external collaborators as part of a team
• Strong interpersonal, communication and presentation skills

Additional skills that might be advantageous:

• Previous experience in applying ML/AI methods to problems of pharmaceutical interest

 For any informal enquiry please contact f.zuccotto@dundee.ac.uk