Associate Principal Scientist Cheminformatics

Join a world leading team in developing the next generation of small molecule and PROTACs medicines! AstraZeneca R&D Gothenburg Sweden seeks to recruit a Chemoinformatician into Computational Chemistry BioPharma Chemistry within Discovery Sciences.

AstraZeneca is committed to the development of the next generation of innovative medicines. The Computational Chemistry team are using of state of the art in silico methods for molecular modelling ligand design property predictions and data analysis as an integral part of BioPharma drug discovery projects with a focus on small to medium sized molecules. The team operates in a highly cross disciplinary environment in close collaboration with scientists from the Chemistry Translational Bioscience DMPK Molecular AI and Pharmaceutical Sciences departments to advance the BioPharma project pipeline.

What youll do:
As a Chemoinformatician (Associate Principal Scientist) you will have a profound impact on multiple projects across the BioPharma portfolio. You will work collaboratively with machine learners medicinal chemists and multidisciplinary teams across all discovery phases. You will efficiently and proactively apply a full range of computational chemistry and AI approaches to deliver data pipelines design predictive models library design and SAR-analysis to improve potency selectivity activity and/or ADMET properties of our drug compounds.

You will identify scientific improvement areas in computational sciences and contribute to capability building by collaborating with external partners and colleagues across AZ parallel assess how these advances apply to AstraZeneca projects and help implement them in active programs.
The role offers opportunities to publish original research and reviews in peer reviewed journals and requires maintaining up to date awareness of the literature and developments in the field.

Youll work alongside a large community of computational chemists across functions spanning cheminformatics molecular simulations structure and ligand based design machine learning and model development in a collaborative cross disciplinary environment. Youll also have access to shared highperformance compute clusters and stateoftheart software and pipelines to train and deploy machine learning models work with generative design co-folding up to synthesizability and reaction predictions.

Essential requirements:
We are seeking an engaged chemoinformatician with a solid knowledge of drug discovery concepts and a proven track record of applying computational/machine learning techniques with measurable impact on drug discovery project delivery. The candidate is expected to have a deep understanding of how computational chemistry contributes to drug discovery projects together with a good knowledge of the drug discovery process including other disciplines such as synthetic structural and medicinal chemistry DMPK structural biology biophysics biological science etc.

More specifically you have:

• PhD (or equivalent experience) in computational chemistry chemistry pharmacology or a related field with a strong computational background

• Deep knowledge in machine learning and deep learning techniques especially regarding generative design QSA/PR or reaction prediction.

• Strong experience in the application of ML/AI in drug discovery specifically with ligand-based design techniques.

• Knowledge in scientific computing and programming skills (e.g. Python Perl C C Java R) cheminformatics toolkits (e.g. RDKit OpenEye) data standards (e.g. SMILES/SMARTS InChI SDF) ML frameworks (e.g. scikit learn PyTorch/TensorFlow) cloud basics and agents.

• Strong written and verbal communication skills and ability to collaborate in multidisciplinary project teams

• Excellent time management skills forward planning and delivery focus

Desirable requirements:

• Experience in structure-based design especially molecular dynamics and/or modern FEP methods.

Work policy:
When we put people in the same room we unleash bold thinking with the power to inspire life-changing -person working gives us the platform we need to connect work at pace and challenge perceptions. Thats why we work on average a minimum of three days per week from the office. This role is located in Gothenburg Sweden and is not available for remote work or with travel or commuting support.

Why AstraZeneca
At AstraZeneca were dedicated to being a Great Place to Work. Where you are empowered to push the boundaries of science and unleash your entrepreneurial spirit. Theres no better place to make a difference to medicine patients and society. An inclusive culture that champions diversity and collaboration. Always committed to lifelong learning growth and development.

Whats next:
If this sounds like the place and role for you apply today! We look forward to get to know you better! Welcome with your application no later than August 9 2026.

Date Posted

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