Senior Cheminformatics Engineer

Introduction to role

AstraZeneca is seeking a Senior Cheminformatics Engineer to expand its Augmented Design-Make-Test-Analyse (A-DMTA) platform (R&D IT) in Barcelona. In this role, you will contribute to and help shape the evolution of our cheminformatics software and platforms, setting technical direction and enabling scalable, data-driven drug discovery across R&D. You will also take broader responsibility for influencing technical direction across the platform and work in close contact with science stakeholders to shape drug discovery software and data products.

As Senior Cheminformatics Engineer, you will be responsible for building scientific solutions for small-molecule and new-modality drug discovery, leveraging your expertise in cheminformatics and software engineering. You will be working within an agile, matrixed team of scientists, software and DevOps engineers, architects, BAs, and other cheminformaticians.

Essential Skills/Experience

Expert in using one or more cheminformatics toolkits (e.g., RDKit, CDK, OpenEye, Biovia, Chemaxon)

Understanding of drug discovery processes and data, with a particular emphasis on the DMTA cycle and the software products used in it

Deep understanding of chemistry data models, structure standardization rules for small molecules and new modalities (e.g., PROTACs, peptides, oligos)

Experience of developing novel software to complex drug discovery problems

Strong software engineering skills in one or more coding languages (e.g. Python, Java, JavaScript)

Experience building production-grade solutions managing end-to-end Software Development Life Cycle

Strong experience with developing backend services and their deployment and integration preferably in the cloud

Experience using one or more SQL / NoSQL databases and a solid knowledge of query optimisation techniques

Exceptional communication skills to present and demonstrate your work to stakeholders and end-users

Practical experience applying good software engineering practices – documentation, versioning, testing, code quality review, CICD, etc.

Desirable Skills/Experience

Experience using coding agents within IDEs

Demonstrated contribution to open-source libraries

Experience building and maintaining chemistry data pipelines

DevOps specifically in the context of chemistry systems

Understanding of software and algorithms used in drug design and predictive AI

Ability to explain complex methods & techniques to non-expert audiences

Experience working in agile delivery teams

When we put unexpected teams in the same room, we unleash bold thinking with the power to inspire life-changing medicines. In-person working gives us the platform we need to connect, work at pace and challenge perceptions. That's why we work, on average, a minimum of three days per week from the office. But that doesn't mean we're not flexible. We balance the expectation of being in the office while respecting individual flexibility. Join us in our unique and ambitious world.

Why AstraZeneca
Here you will blend cutting-edge science with leading digital technologies to deliver real-world impact on the pace and quality of medicine discovery. We bring diverse experts together to spark bold thinking, back them with significant investment, and empower them to take ownership from idea to implementation. You will explore new technologies, build scalable platforms that the business relies on daily, and grow through shared learning, open collaboration, and the satisfaction of seeing your work unlock better decisions for scientists and better outcomes for patients.

If you are ready to turn advanced cheminformatics and engineering into faster, smarter discovery for patients, step forward and make your mark today!