Job Description
Cheminformatician (Scientist, Senior or Principal)
About Nxera Pharma
Nxera Pharma is establishing a new AI enabled discovery initiative to build a high throughput AI and physics driven GPCR discovery engine that augments our world class experimental capabilities and extensive proprietary structural and chemogenomic data assets originating from Heptares Therapeutics. This initiative sits within our newly formed Computational Sciences team alongside Research Informatics, Chem Informatics and Bio Informatics. AI is being deployed across the NxWaveTM platform, trained on the industry’s most extensive proprietary GPCR structure–ligand dataset and paired with our curated chemogenomic library of GPCR focused small molecules.
Our mission is to unlock the vast untapped potential of G-protein-coupled receptors (GPCRs) using computational and experimental innovation to design first-in-class therapeutics across metabolic, neurological, immunological, and rare diseases.
As part of Nxera’s mission to redefine how new medicines are discovered and to fully leverage advances in AI, quantum mechanics and next generation data integration, we are seeking Cheminformatics experts at various levels of experience.
The Role
The Cheminformatician will play a central role in shaping how Nxera Pharma manages, analyses, and leverages chemical data to drive MedChem and AI innovation. You will develop MLOps workflows, build tools for scientists, contribute to predictive models, and provide scientific insight that accelerates discovery programs.
This position offers the opportunity to work on a broad range of challenges—from molecular representation and library design to developing standardised data systems that power machine-learning and hypothesis generation.
You will work closely with bench scientists, computational chemists, platform engineers, and data scientists, helping bridge the gap between chemical expertise and modern computational approaches.
What You’ll Bring
Essential Experience
* PhD or equivalent experience in Cheminformatics, Computational Chemistry, Computer Science, or related field
* Min 2+ years’ experience applying cheminformatics in drug discovery
* Strong proficiency with cheminformatics toolkits (e.g., RDKit, OpenEye, CDK)
* Solid programming skills in Python (and preferably one of: Java, C++, or SQL)
* Strong communication and collaboration skills across multidisciplinary groups
Desirable Experience
* Knowledge of machine learning methods and how they interact with chemical data (QSAR, GNNs, generative models, etc.)
* Understanding of cloud-based data science environments (AWS, GCP, Azure)
* Understanding of medicinal chemistry concepts and small-molecule drug discovery workflows
* Contribution to open-source projects or publications in cheminformatics / computational chemistry
What’s in it for you?
* State-of-the-art R&D centre located in the heart of the Cambridge science cluster - for Cambridge hires
* Competitive compensation package including discretionary cash bonuses
* Eligible for grants of Restricted Stock Units
* 26 days annual leave in addition to public holidays plus the option to purchase an additional 5 days each year
* Employer contribution to pension
* Private Medical Insurance for employees and family and a cash plan for dental and optical reimbursement
* Health and wellbeing benefits including a subsidised individual gym membership
* Income protection to cover long term absences due to ill health
* Group Death in Service equal to 4x basic annual salary
At Nxera Pharma, we are passionate about delivering life-changing medicines to patients. We foster an open and welcoming environment where everyone can bring their authentic self to work, harnessing our individual strengths to succeed together.
We value our culture rooted in a diverse mix of minds, backgrounds, and abilities, with a deep sense of belonging. For us, inclusiveness is a reflex, not an initiative.
We are achieving this through a consistent commitment to fairness, equal opportunity, and equity.
Applications should include a CV and covering letter, providing a short description of the background of your interest in the role.
Join us at Nxera Pharma — where AI meets biology to transform the future of medicine.