Senior Cheminformatician

  • Salary: Competitive
  • REF Number: 00056268
  • Consultant: Naynesh Mistry
  • Contact: 01246 457703
  • Date Published: 14.11.2023
  • Sector: Pharmaceutical, Biotechnology
  • Location: Cambridge, Home Counties, East Anglia
  • Discipline: Research & Development

CK Group are exclusively working with Sosei Heptares recruiting for an experienced Senior Cheminformatician. The successful candidate will be part of a growing Computational Chemistry team. This role will be based at their site in Cambridge on a permanent basis with flexibility of hybrid working.

The Company:

Our client is a fully integrated biopharmaceutical company focused on bringing life-changing medicines to patients globally who are working to generate and advance a broad and deeppipeline of novel medicines across multiple therapeutic areas, including neurology, immunology, gastroenterology and inflammatory diseases.

The Role:

Fantastic opportunity to join an expanding team that are actively involved in multiple drugdiscovery projects, AI and structure-based drug discovery (SBDD) collaborations. Using the state-of-the-art cheminformatics techniques, you will support and drive discovery projects from early stage to clinical candidate stage working closely with cross-functional teams (chemistry, pharmacology and structural biology).


  • Contribute to multidisciplinary GPCR SBDD projects by applying a broad set of computational chemistry and cheminformatics approaches
  • Develop customised computational chemistry and cheminformatics tools and workflows to extract, integrate and analyse complex chemical, structural, pharmacological and ADMET data within the context of SBDD.
  • Play an active role in new initiatives, such as: Generative models for GPCR structure-based artificially intelligent molecular design; Structure-based virtual screening of ultra-large databases; GPCR-customised library design and analysis of StaR®-enabled screens (e.g. DEL)

Your Background:


  • PhD. or equivalent experience in computational chemistry, cheminformatics, or a related discipline
  • Experience using cheminformatics toolkits or computational chemistry tools to solve problems such as similarity searching, matched pair analysis, clustering, QSAR modelling, visualisation of structure-activity relationships and virtual library enumeration
  • Strong coding skills in Python and familiarity with common data science packages
  • An interest in designing methodologies and tools that bring new insights to the drug discovery process


  • Experience in AI approaches such as Deep Generative Models
  • Familiarity with querying of relational databases and use of scientific workflow systems
  • Computational chemistry experience within a collaborative multi-disciplinary medicinal chemistry research environment
  • Background in molecular recognition and the structural and physicochemical property determinants of small molecule binding to proteins


Discretionary bonuses

25 days holiday plus bank holidays plus the option to purchase an additional 5 days each year Share options Pension Health (inc family) and wellbeing benefits including a subsidised individual gym membership.


It is essential that applicants hold entitlement to work in the UK. Please quote job reference 56268 in all correspondence.

We'll store this in session so if you're applying for multiple jobs today so you can use this as a base.

Read our privacy policy Cancel