Investigator, Cheminformatics

Role Summary

Investigator, Cheminformatics

Responsibilities

• Collaborate with business partners to engineer robust pipelines that process GSK‚Äôs large proprietary datasets and deliver model-ready datasets.
• Development of our rich and complex chemogenomic data and models, leverage their insights for tool compound and target identification and ongoing project support across a range of modalities and integrate them with target deconvolution and phenotypic screening analytics pipelines.
• Adapt and develop cheminformatics methods and machine learning at scale to build robust predictive models for application to drug discovery programs.
• 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 build, 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.
• Integrate with multidisciplinary matrix program teams that span different organizations and geographies to execute work on joint objectives that solve drug discovery project issues and advance joint initiatives using cheminformatics tools and platforms.

Qualifications

• MSc in Cheminformatics, Computational Chemistry, Informatics, Life Sciences or Mathematics
• Experience programmatically collecting, combining, mining and analyzing complex biological and chemical data to build predictive models, and deploying these methods as pipelines.
• Experience in computational sciences including knowledge of machine learning, virtual screening, and cheminformatics methods applied to drug design.
• Experience utilizing computer programming and scripting languages such as Python, Java, C/C++.
• Experience with chemical toolkits such as Chem Axon or RDKit and scientific pipelining tools such as Pipeline Pilot or KNIME.

Preferred Qualifications

• PhD in Cheminformatics, Computational Chemistry. Informatics, or Mathematics.
• Experience utilizing software development tooling such as GitHub, Azure DevOps, automation and containerization in the course of production hardening and deploying code into cloud environments for broader use including collaborative software development.
• Experience applying cheminformatics & predictive modelling methods in project support scenarios.
• Knowledge of related disciplines (medicinal chemistry, high throughput screening, analytical chemistry, chemical biology, DMPK, Tox, Imaging) to enable multidisciplinary approaches to be identified and integrated into a cohesive project plan is preferred.