AI Computational Chemist Senior Scientist
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Monthly Salary:
Posted on:
4 days ago
Vacancies:
1 Vacancy
Job Summary
Job Title: AI Computational Chemist - Senior Scientist
Location: Cambridge UK
Salary: Competitive Excellent Employee Benefits!
Introduction to the Role:
Join AstraZenecas Oncology R&D in Cambridge UK as an AI-specialist Computational Chemist and help shape the future of drug discovery. AstraZeneca is at the forefront of applying AI-powered drug designincluding generative molecular design predictive modelling and advanced cheminformaticsto accelerate the creation of novel medicines.
About the Role:
In this role you will lead AI-driven design across multiple oncology projects applying structure- and ligand-based methods machine learning and generative AI to craft molecules with the right balance of potency selectivity and developability. You willoperatein a highly collaborative environment with medicinal chemists biologists data scientists and DMPK experts andyoullbe encouraged to publish and present your work at leading conferences.
Expectations of a Successful Candidate
You will:
Own AI-driven molecular design strategies: Lead the application of generative and predictive AI-including ourin-house REINVENT platform -to proposeoptimize and prioritize compounds for complex oncology targets translating hypotheses into project decisions.
Develop and deploy predictive models: Build andvalidatemachine learning models for bioactivity selectivity ADME/DMPK and physicochemical properties integrating them into routine project workflows.
Deliver tangible project impact: Convert computational insights into clear design hypotheses higher-quality compounds and faster progression toward candidate selection and development milestones.
Build scalable workflows: Create andmaintaincheminformatics pipelines and automated decision-support tools that enhance speed reproducibility and rigour across teams.
Champion innovation and best practice: Evaluate emerging computational methodologies and AI technologies; drive adoption across global teams in Cambridge Boston and Gothenburg.
Communicate and influence: Present complex results clearly to multidisciplinary audiences guide experimental plans and contribute to project strategy and portfolio decisions.
Publishexternally:In high-quality journals and present at national and international conferences.
Skills and Qualifications
Education: PhD (or equivalent experience) in Chemistry Computational Chemistry/Cheminformatics or a closely related discipline.
Coreexpertise: Strong knowledge ofmachine learningcomputational chemistryandcheminformatics.Knowledge of a range of machine/deep learning algorithms and architectures (e.g. graph neural networks transformers).
AI application:Demonstratedinterest andsignificantpractical experiencebuildingandapplying predictiveor generativeAI/MLmethodsin a chemistry context.
Programming and workflows:ProficiencywithRDKitand Python (and/or R C Java)libraries for ML (e.g.scikit-learnPyTorchDeepChem)and experience with pipelining tools.
Computational chemistry methods breadth:Knowledge and understanding ofprotein structure and dynamicsmodellingandstructure/ligand-based design.
Medicinal chemistry fundamentals: Good knowledge of physicochemicaland ADMEproperties and their impact on molecule quality and progression.
Ways of working: Excellent communication presentation teamwork influencing and time management skills.
DesirableSkills and Qualifications
Generative and predictive AIin drug discovery: Experience of applying these methodson live projectsto design new drugs andmodeltheir properties.
Drug discovery impact: Proven experience applying structure- and ligand-based methods in live projects delivering measurable outcomes.
Publications: Peer-reviewed publications in computational chemistry cheminformatics or AI for drug discovery.
About AstraZeneca
AstraZeneca is a global science-led biopharmaceutical company committed to transforming patients lives through innovative Oncology R&D we combine deep biological insight withstate-of-the-artAI to accelerate molecular design and decision-making. Our teamsoperatein an open collaborative environment across Cambridge (UK)andBoston (USA) sharing best practice and pushing the boundaries of computational chemistry and machine learning. By joining us as a Senior Scientist you will contribute to a vibrant community of scientists pioneering AI-enabled drug designand have the platform to publish present and shape the next wave of innovation.
Ready to make a significant impact Apply now and join us on this exciting journey!
So whats next
Are you ready to bring new insights and fresh thinking to the table Brilliant! We have one seat available and we hope its yours. We encourage you to apply online before midnight on January 25th.
Where can I find out more
Our Social Media:
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Posted
05-Jan-2026Closing Date
25-Jan-2026Our mission is to build an inclusive and equitable environment. We want people to feel they belong at AstraZeneca and Alexion starting with our recruitment process. We welcome and consider applications from all qualified candidates regardless of characteristics. We offer reasonable adjustments/accommodations to help all candidates to perform at their best. If you have a need for any adjustments/accommodations please complete the section in the application form.Required Experience:
Senior IC
Key Skills
- Laboratory Experience
- Mammalian Cell Culture
- Biochemistry
- Assays
- Protein Purification
- Research Experience
- Next Generation Sequencing
- Research & Development
- cGMP
- Cell Culture
- Molecular Biology
- Flow Cytometry
About Company
AstraZeneca is an equal opportunity employer. AstraZeneca will consider all qualified applicants for employment without discrimination on grounds of disability, sex or sexual orientation, pregnancy or maternity leave status, race or national or ethnic origin, age, religion or belief, ... View more
