Cheminformatics Scientist

Key Skills

C Programming, C++, Cheminformatics, Machine learning techniques, Python Programming, R Programming

Job Description

In this role you will have the opportunity to

• Apply machine learning and related methods at scale to GSK’s 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

Why you?

Basic Qualifications & Skills:

We are looking for professionals with these required skills to achieve our goals:

• 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 analyse 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 & high learning agility.

Preferred Qualifications & Skills:

Having at least one of the below is preferred. If you do not have any of them, please still apply:

• 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 utilising software development tooling across HPC and Cloud including GitHub, DevOps automation and Containerisation.Experience applying cheminformatics & predictive modelling methods to project support.

Closing Date for Applications – November 3rd, 2024 COB

Please take a copy of the Job Description, as this will not be available post closure of the advert.

When applying for this role, please use the ‘cover letter’ of the online application or your CV to describe how you meet the competencies for this role, as outlined in the job requirements above. The information that you have provided in your cover letter and CV will be used to assess your application.

At GSK, we have bold ambitions for patients, aiming to positively impact the health of 2.5 billion people over the next 10 years. R&D is committed to discovering and delivering transformational vaccines and medicines to prevent and change the course of disease. Science and technology are coming together in a way they never have before, and we have strong tech-enabled capabilities that allow us to build a deeper understanding of the patient, human biology and disease mechanisms, and transform medical discovery. We are revolutionising the way we do R&D. We’re uniting science, technology and talent to get ahead of disease together.