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.
AsSeniorCheminformatics Engineer, you willbe responsible forbuilding scientific solutionsforsmall-molecule and new-modalitydrug discovery, leveraging yourexpertisein cheminformatics and software engineering. You will be working within anagile, matrixed team of scientists, software and DevOps engineers, architects, BAs, andothercheminformaticians.
Essential Skills/Experience
Expert in using one or more cheminformatics toolkits(e.g.,RDKit,CDK,OpenEye,Biovia,Chemaxon)
Understandingof drug discovery processes and data, with a particular emphasis ontheDMTAcycleand the software products usedin it
Deepunderstanding ofchemistrydata models, structure standardization rules for small molecules and new modalities(e.g., PROTACs, peptides, oligos)
Experience of developing novelsoftwareto complex drug discovery problems
Strongsoftware 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 backendservices and theirdeployment and integrationpreferablyin the cloud
Experience using one or more SQL / NoSQL databases anda solid knowledge ofquery optimisation techniques
Exceptional communication skills to present anddemonstrateyour 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 andmaintainingchemistry data pipelines
DevOpsspecifically in thecontext of chemistry systems
Understanding of software and algorithms usedin drug designand 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!
Date Posted
27-ene-2026Closing Date
09-feb-2026AstraZeneca embraces diversity and equality of opportunity. We are committed to building an inclusive and diverse team representing all backgrounds, with as wide a range of perspectives as possible, and harnessing industry-leading skills. We believe that the more inclusive we are, the better our work will be. We welcome and consider applications to join our team from all qualified candidates, regardless of their characteristics. We comply with all applicable laws and regulations on non-discrimination in employment (and recruitment), as well as work authorization and employment eligibility verification requirements.
AstraZeneca embraces diversity and equality of opportunity. We are committed to building an inclusive and diverse team representing all backgrounds, with as wide a range of perspectives as possible, and harnessing industry-leading skills. We believe that the more inclusive we are, the better our work will be. We welcome and consider applications to join our team from all qualified candidates, regardless of their characteristics. We comply with all applicable laws and regulations on non-discrimination in employment (and recruitment), as well as work authorisation and employment eligibility verification requirements.
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