Cheminformatics Researcher

Join the forefront of biotechnology, where your expertise in cheminformatics can help unlock breakthrough therapies through data-driven lipid discovery.

R&D Partners is seeking a highly skilled Cheminformatics Researcher to join a Genetic Medicine team in the UK. This role focuses on applying advanced cheminformatics methods and AI/ML technologies to explore chemical space and refine lipid libraries for targeted lipid nanoparticles (tLNP). The position offers an exciting opportunity to contribute to cutting-edge research in biotechnology.

Please note that to be considered for this role you must have the right to work in this location.

Responsibilities:

• Develop optimal molecular representations for lipids involved in lipid nanoparticles.
• Create workflows to analyze lipid structures from internal and public datasets, classify them, and extract key physicochemical features.
• Process building blocks compatible with available chemistry to engineer lipid structures, identifying motifs for specific formulation and in-vivo readouts.
• Contribute to the generation and iterative refinement of virtual lipid libraries using cheminformatics, AI/ML methods, chemical intuition, and molecular modeling insights.
• Build predictive models linking lipid structure-based descriptors to formulation and in-vivo readouts, including Molecule-Particle relationships.
• Design workflows for diversity selection and prioritization of lipids for synthesis, maximizing chemical space exploration while considering synthesis limitations.
• Ensure consistent analysis and model predictions by lipid topology, extracting insights into the roles of lipid components in formulation and in-vivo readouts.
• Maintain high standards in data quality and curation workflows, understanding all dimensions of lipid and nanoparticle data.
• Influence experimental setups for synthesis and formulation to ensure high-quality curated data production.
• Foster cross-functional collaborations in cheminformatics and computational chemistry.

Key Skills and Requirements:

Basic Qualifications:

• PhD in Cheminformatics, Computational Chemistry, or related field.
• Proven experience in cheminformatics methods for chemical library design (e.g., combinatorial design, SAR/SPR analysis, feature selection, molecular representation).
• Expertise in data analytics and AI/ML modeling within cheminformatics, with a preference for experience in small molecules or lipids.
• Strong scientific programming skills, particularly in Python, and proficiency in building data visualizations.

Additional Skills/Preferences:

• Understanding of tLNP concepts, formulation processes, and particle properties.
• Deep knowledge of chemoinformatics toolkits and adaptability to new tools/methods.
• Familiarity with synthesis and purification challenges of lipids or small molecules.
• Knowledge of topological descriptors for small molecules or lipids.
• Experience at the interface of AI-based agents and cheminformatics.
• Willingness to explore physics-based methods applied to lipids and tLNP.

For more information, please contact Grant Van Schalkwyk.

If you are interested in applying to this exciting opportunity, then please click ‘Apply’ or to speak to one of our specialists visit the ‘Contact Us’ page.

R&D Partners is a leading life sciences recruiter focused on finding exceptional people and matching them with the finest positions across the globe. R&D Partners is acting as an Employment Agency in relation to this vacancy.

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