Principal Scientist

The Principal Scientist role within the Cheminformatics group uses large proprietary internal datasets to develop, integrate, and embed advanced computational methods and predictive in-silico models to accelerate the discovery of medicines.

Responsibilities:

• Build, validate, and deploy cheminformatics and machine learning methods and models to inform go/no-go across drug-discovery programmes.
• Integrate with drug discovery programme teams to embed predictive models directly into decision-making and translate computational outputs into guidance that is accessible to non-experts.
• Prototype exploratory, agent-driven workflows that combine LLM-based reasoning with cheminformatics tools, predictive models, and experimental data to accelerate hypothesis generation, literature and data triage, and iterative design / make / test / analyse cycles.
• Contribute to and validate production-quality code implementing state-of-the-art cheminformatics, computational chemistry, and quantum chemistry methods that accelerate and improve decision-making on drug discovery programmes.
• Prepare and present results of key validation experiments, details of capability builds, and developments on drug discovery projects to internal and external groups.
• Work with others within a multidisciplinary matrix team that spans different organisations and geographies to execute on joint aims.

Requirements:

• Relevant degree-level education (e.g., PhD or MSc in Cheminformatics, Computational Chemistry, Informatics, Life Sciences) or equivalent with a strong Chemistry foundation.
• Knowledge / Experience of programmatically collecting, combining, mining, and analysing complex biological and chemical data to build predictive models.
• Broad knowledge of computational sciences including machine learning, computational chemistry, and cheminformatics methods.
• Knowledge / Experience of computer programming and scripting languages (e.g., Python, Java, C/C++, R).

Location: This role will temporarily be based at Stevenage. However, the Company plans to relocate its offices to Cambridge, UK.

Benefits: No specific benefits mentioned.