I’m looking for a Cheminformatics Scientist to join a cutting-edge Genetic Medicine team based in Bracknell, UK working at the intersection of AI/ML, chemistry, and nanoparticle delivery systems. This will be for an initial 12 month
This is a unique opportunity to apply advanced computational approaches to design and optimize lipid nanoparticles (tLNPs) a critical technology enabling next-generation therapeutics.
You’ll play a key role in exploring and expanding chemical space for novel lipid design, leveraging:
- Cheminformatics
- AI/ML modelling
- Molecular modelling insights
Your work will directly influence how targeted lipid nanoparticles are designed, prioritised, and brought into experimental validation.
What You’ll Do
- Develop and apply molecular representations for lipids used in nanoparticle systems
- Build workflows to analyze, classify, and extract features from lipid datasets
- Design and refine virtual lipid libraries using:
- Cheminformatics
- AI/ML methods
- Chemical intuition
- Create predictive models linking lipid structure to:
- Formulation behaviour
- In vivo performance
- Drive diversity selection and prioritisation strategies for synthesis
- Generate insights into lipid topology (head, linker, tail) and their functional roles
- Partner cross-functionally to ensure high-quality, consistent data generation
- Influence experimental design to improve model performance and data quality
What We’re Looking For
- PhD in Cheminformatics, Computational Chemistry, or related field
- Proven experience applying AI/ML in cheminformatics
Strong background in
- Data analytics
- Statistical modelling
- Molecular descriptors
- Advanced Python programming skills
- Experience building data visualisations and computational workflows
Nice to Have
- Experience with lipid nanoparticles (tLNPs) or drug delivery systems
- Understanding of:
- Lipid synthesis and purification challenges
- Particle formulation and readouts
- Knowledge of topological descriptors for lipid structures
- Experience at the interface of AI agents & cheminformatics
- Interest in combining physics-based modelling with ML approaches
For more information, apply or get in touch – jamie.keith@cpl.com
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