Investigator, Cheminformatics

• The new Research Tech Data & Predictive Sciences function is focused on harnessing the power of GSK's data-as-an-asset to drive research productivity. As a member of the Cheminformatics (CIX) group, you will be focused on developing, integrating and embedding advanced computational methods and predictive in silico models that accelerate the discovery of medicines.

  Data & Predictive Sciences will only be successful by working in close collaboration with Research Tech, Therapeutic Areas, GSK Tech, AIML, Vaccines, Risk &Compliance, and across lines within the functionitself, and by developing and fostering a high-performing team culture of collaboration, curiosity, consistency, agility, quality, peer review, and continuousimprovement with a relentless focus on enabling valuerealizationthrough end-useruptake and measuring impact.

  We create a place where people can grow, be their best, be safe, and feel welcome, valued and included. We offer a competitive salary, an annual bonus based on company performance, healthcare and wellbeing programs, pension plan membership, and shares and savings program.

  We embrace modern work practices; our Performance with Choice program offers a hybrid working model, empowering you to find the optimal balance between remote and in-office work. Discover more about our company wide benefits and life at GSK on our webpage Life at GSK | GSK

  Key Responsibilities:

  This role will provide YOU the opportunity to lead key activities to progress YOUR career, these responsibilities include some of the following.

  • 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:

  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

  • Experience in computational sciences including knowledge of machine learning, computational chemistry and cheminformatics methods applied to drug design across different modalities

  • Experience programmatically collect, combine, mine and analyze complex biological and chemical data to build predictive models

  • Experience developing and utilizing computer programming and scripting languages such as Python, Java, C/C++, R with knowledge of basic software development practices

  • Experience with chemical toolkits such as ChemAxon, RDkit and scientific pipelining tools such as Pipeline Pilot or KNIME

  Preferred Qualifications:

  If you have the following characteristics, it would be a plus:

  • 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

  • Experience applying cheminformatics & predictive modelling methods to project support

  • Evidence of strong critical thinking skills, problem-solving & high learning agility

  #LI-GSK

Please visit GSK US Benefits Summary to learn more about the comprehensive benefits program GSK offers US employees.

Why GSK?

Uniting science, technology and talent to get ahead of disease together.

GSK is a global biopharma company with a special purpose - to unite science, technology and talent to get ahead of disease together - so we can positively impact the health of billions of people and deliver stronger, more sustainable shareholder returns - as an organisation where people can thrive. 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).

Our success absolutely depends on our people. While getting ahead of disease together is about our ambition for patients and shareholders, it's also about 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. So, if you share our ambition, join us at this exciting moment in our journey to get Ahead Together.

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