Who we are?

Astex Pharmaceuticals is a world leader in innovative drug discovery and development. The company has successfully applied its proprietary Fragment-Based Drug Discovery (FBDD) platform to generate multiple new drug candidates that are progressing in clinical development.  Successful collaborations have led to two launched oncology drugs (Kisqali® partnered with Novartis and Balversa® partnered with Janssen). And to this day, Astex continues its relentless pursuit for innovative solutions that can help us in the fight against cancer and CNS disorders

 The Opportunity   

The data-rich setting underlying FBDD presents various opportunities where machine learning (ML) can have a transformational impact on the drug-design process. We are looking for an experienced ML researcher to join our data-science team and drive the development and integration of ML for generative and reaction modelling with virtual-screening technology that makes optimal use of FBDD data. The role encompasses both ML method design and deployment, building on our Astex culture of developing bespoke computational solutions that become part of our state-of-the-art drug discovery platform. The ideal candidate will be a computational chemist with a deep understanding of machine learning and statistical inference, or a computer scientist / machine learner with previous experience in chemistry-related domains.

Principal responsibilities

  • Design and develop cutting-edge ML techniques for FBDD
  • Support the deployment and integration of ML into our drug-discovery platform (MLOps)
  • Engage with experimental and computational scientists to co-develop tomorrow’s FBDD technology
  • Keep abreast of the latest technologies to identify new development opportunities
  • Connect with academic research groups and initiate collaborations


  • PhD in the natural sciences, computer science, maths, or related field
  • Significant research experience in academia or industry (postdoctoral or similar)
  • Track record in ML research (publications, conference contributions, etc.)
  • Excellent coding skills, ideally with experience in collaborating on large software projects
  • Great team working, written and verbal communication skills

Why Astex

We offer excellent training and career development opportunities as well as highly competitive salary and benefits package.  The company is situated 2.5 miles from Cambridge City centre. Cambridge Science Park has onsite sports facilities and excellent transport links to London. At Astex we embrace diversity and equality of opportunity. We are committed to building an inclusive and diverse Company representing all backgrounds, harnessing industry-leading scientific innovation and behaviours.

Application Information 

To apply, please visit our recruitment website and submit your application before the closing date.

Apply Here

More information

For information on Astex Pharmaceuticals please visit: www.astx.com
For information on Otsuka Pharmaceuticals please visit: www.otsuka.co.jp


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