Head of Cheminformatics and Data Architecture

Head of Cheminformatics and Data Architecture

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 a Head of Cheminformatics and Data Architecture.

The Head of Cheminformatics and Data Architecture will define how chemical, biological, and data ecosystems integrate to power our discovery engine.

You will lead a world-class team responsible for cheminformatics innovation, molecular data architecture, and the integration of AI/ML platforms (MLOps) to accelerate small molecule design and optimisation.

• Strategic Leadership: Define and execute Nxera’s cheminformatics and data architecture vision across discovery and early development.
• Architect and oversee scalable data frameworks that unify chemical, biological, and structural data across the enterprise.
• Partner with Discovery and Platform teams to ensure seamless data flow, standardisation, and accessibility for scientific users.
• Implement FAIR (Findable, Accessible, Interoperable, Reusable) data principles across discovery workflows.
• Advance the use of computational chemistry, molecular modelling, and AI-driven structure–activity prediction.
• Lead the design and deployment of internal cheminformatics platforms, APIs, and visualisation tools.
• Cross-functional Collaboration: Partner with Discovery scientists to develop predictive design capabilities and multi-modal data strategies.
• External Engagement: Represent Nxera in strategic collaborations, conferences, and partnerships with technology providers and academic leaders.
• Leadership & Mentorship: Build, inspire, and grow multidisciplinary teams spanning cheminformatics, data architecture, and computational sciences.

• PhD in Chemistry, Computational Chemistry, Cheminformatics, or related field.
• 10+ years in pharma/biotech R&D with at least 5 years in senior leadership roles.
• Proven expertise in building and managing cheminformatics platforms and data ecosystems.
• Deep understanding of data architecture principles, ontologies, and modern data stack technologies (cloud-native, API-first, microservices).
• Hands‑on experience with ML/AI model integration into cheminformatics workflows.
• Strong track record of advancing discovery programs through computational and data-driven innovation.
• Exceptional communication and leadership skills, capable of influencing across technical and executive domains.

• Lead the evolution of AI‑driven molecular discovery in a company built on scientific integrity and purpose.
• Work at the nexus of mathematics, machine learning, and molecular biology, redefining how therapeutics are discovered.
• Collaborate with world‑class researchers and engineers united by a mission to bring precision medicines to patients faster.

• 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…