Research Scientist

3 weeks ago


Stevenage, Hertfordshire, United Kingdom GlaxoSmithKline Full time

The Data and Predictive Sciences function at GlaxoSmithKline is focused on harnessing the power of data to drive research productivity.

As a member of the Cheminformatics group, you will be responsible for developing, integrating, and embedding advanced computational methods and predictive models that accelerate the discovery of medicines.

This role requires close collaboration with Research Tech, Therapeutic Areas, GSK Tech, AIML, Vaccines, Risk & Compliance, and other teams to develop a high-performing team culture of collaboration, curiosity, consistency, agility, quality, peer review, and continuous improvement.

Key Responsibilities:

  • Apply machine learning and related methods at scale to large proprietary datasets to build robust predictive models for application to drug discovery programs.
  • Integrate with program teams to solve drug discovery project issues using cheminformatics tools, platforms, and solutions.
  • Contribute to and validate code implementing state-of-the-art, production quality cheminformatics and computational chemistry methods that accelerate, automate, and improve decision-making on drug discovery programs.
  • Prepare and present results of key validation experiments, details of capability builds, and developments on active drug discovery projects to internal and external groups in a way that is both informative and accessible to the non-subject matter expert.
  • Work with others within a multidisciplinary matrix team that spans different organizations and geographies to execute on joint objectives.
  • PhD or MSc in Cheminformatics, Computational Chemistry, Informatics, Life Sciences, Mathematics or equivalent.
  • Evidence of a broad knowledge of computational sciences including knowledge of machine learning, computational chemistry, and cheminformatics methods applied to drug design across different modalities.
  • Expertise to programmatically collect, combine, mine, and analyze complex biological and chemical data to build predictive models.
  • Evidence of developing and utilizing computer programming and scripting languages such as Python, Java, C/C++, R with knowledge of basic software development practices.
  • Expertise with chemical toolkits such as ChemAxon, RDkit, and scientific pipelining tools such as Pipeline Pilot or KNIME.
  • Experience working with 3D protein-ligand methods including structure-based design, virtual screening, molecular docking, molecular dynamics, free energy perturbation.
  • Experience applying modern experimental design and acquisition strategies to library design and high throughput chemistry including methods such as Bayesian optimization.
  • Experience utilizing software development tooling across HPC and Cloud including GitHub, DevOps automation, and Containerization. Experience applying cheminformatics & predictive modeling methods to project support.

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