Cheminformatics Scientist

We are seeking a highly skilled Cheminformatics Scientist to join our Research Tech Data & Predictive Sciences function at GlaxoSmithKline. As a member of our team, you will play a critical role in harnessing the power of data to drive research productivity and accelerate the discovery of medicines.

• Apply machine learning and related methods at scale to our 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 non-subject matter experts.
• 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.
• Evidence of strong critical thinking skills, problem-solving, and high learning agility.

• Experience applying DNN to drug discovery, including de-novo molecular generation, reaction, and retrosynthetic prediction, property prediction.
• 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.

GlaxoSmithKline is a global biopharma company with a special purpose - to unite science, technology, and talent to get ahead of disease together. We prevent and treat disease with vaccines, specialty, and general medicines. We focus on the science of the immune system and the use of new platform and data technologies, investing in four core therapeutic areas: infectious diseases, HIV, respiratory/immunology, and oncology.

We are committed to making GSK a place where people can thrive. We want GSK to be a place where people feel inspired, encouraged, and challenged to be the best they can be. A place where they can be themselves - feeling welcome, valued, and included. Where they can keep growing and look after their wellbeing.