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Investigator – Cheminformatics – GSK UK

Careers (

The new Research Tech Data & Predictive Sciences function is focussed on harnessing the power of GSK’s data-as-an-asset to drive research productivity upper quartile ambitions.

As an Investigator in the Cheminformatics (CIX) group, you will be focused on developing, integrating and embedding advanced computational methods and predictive in silico models that accelerate discovery of medicines.                

Data & Predictive Sciences will only be successful by working in close collaboration with Research Tech, TAs, GSK Tech, AIML, Vaccines, Risk & Compliance, and across lines within the function itself, and by developing and fostering a high-performing team culture of collaboration, curiosity, consistency, agility, quality, peer review, and continuous improvement with a relentless focus on enabling value realization through end-user uptake 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 programmes, pension plan membership, and shares and savings programme.

We embrace modern work practises; our Performance with Choice programme 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

In this role you will

  • Use machine learning and related methods to build robust predictive models from large scientific data sets for application in drug discovery programs
  • Work closely with program teams to solve drug discovery project issues using cheminformatics tools and solutions
  • Contribute to and validate code implementing state-of the-art production quality cheminformatics and computational chemistry methods that accelerate 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 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.
  • Expertise to programmatically collect, combine, mine and analyze complex biological and chemical data to build predictive models
  • Evidence of a broad knowledge of computational sciences including knowledge of machine learning and cheminformatics methods applied to drug design across differing modalities
  • Knowledge of and experience applying DNN to drug discovery including de-novo molecular generation, reaction and retrosynthetic prediction, property prediction and/or experience applying modern experimental design and acquisition strategies to library design and high throughput chemistry.
  • Strong 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, OEChem or RDkit and scientific pipelining tools such as Pipeline Pilot or KNIME

Preferred Qualifications & Skills:

Please note the following skills are not necessary, just preferred, if you do not have them, please still apply:

  • Evidence of identifying, developing, and applying innovative solutions to scientific and technological problems faced in the Life Sciences
  • Experience writing and deploying production quality machine learning code including methods such as DNN and Bayesian modelling preferably within the python ecosystem
  • Experience utilising software development tooling across HPC and Cloud including GitHub, DevOps automation and Containerisation.
  • Experience applying cheminformatics & predictive modelling methods to project support
  • Demonstrated ability to work as contributing team member and ability to participate in a matrixed team environment.
  • Knowledge of related disciplines (medicinal chemistry, HT screening, analytical chemistry, systems biology, DMPK, Tox, Imaging) to enable multidisciplinary approaches to be identified and integrated into a cohesive project plan is preferred.
  • Evidence of strong critical thinking skills, problem-solving & high learning agility
  • Excellent written and oral communication skills and the ability to interact effectively with scientists in other disciplines with a positive, collegial, collaborative attitude.

Closing Date for Applications – 22nd May 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.

Find out more:

Our approach to R&D.   

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.

As an Equal Opportunity Employer, we are open to all talent. In the US, we also adhere to Affirmative Action principles. This ensures that all qualified applicants will receive equal consideration for employment without regard to neurodiversity, race/ethnicity, colour, national origin, religion, gender, pregnancy, marital status, sexual orientation, gender identity/expression, age, disability, genetic information, military service, covered/protected veteran status or any other federal, state or local protected class*(*US only).

We believe in an agile working culture for all our roles. If flexibility is important to you, we encourage you to explore with our hiring team what the opportunities are.

Should you require any adjustments to our process to assist you in demonstrating your strengths and capabilities contact us on or 0808 234 4391. 

Please note should your enquiry not relate to adjustments, we will not be able to support you through these channels. However, we have created a UK Recruitment FAQ guide. Click the link and scroll to the Careers Section where you will find answers to multiple questions we receive

As you apply, we will ask you to share some personal information which is entirely voluntary. We want to have an opportunity to consider a diverse pool of qualified candidates and this information will assist us in meeting that objective and in understanding how well we are doing against our inclusion and diversity ambitions. We would really appreciate it if you could take a few moments to complete it.  Rest assured, Hiring Managers do not have access to this information and we will treat your information confidentially.

Important notice to Employment businesses/ Agencies

GSK does not accept referrals from employment businesses and/or employment agencies in respect of the vacancies posted on this site. All employment businesses/agencies are required to contact GSK’s commercial and general procurement/human resources department to obtain prior written authorization before referring any candidates to GSK. The obtaining of prior written authorization is a condition precedent to any agreement (verbal or written) between the employment business/ agency and GSK. In the absence of such written authorization being obtained any actions undertaken by the employment business/agency shall be deemed to have been performed without the consent or contractual agreement of GSK. GSK shall therefore not be liable for any fees arising from such actions or any fees arising from any referrals by employment businesses/agencies in respect of the vacancies posted on this site.

Please note that if you are a US Licensed Healthcare Professional or Healthcare Professional as defined by the laws of the state issuing your license, GSK may be required to capture and report expenses GSK incurs, on your behalf, in the event you are afforded an interview for employment. This capture of applicable transfers of value is necessary to ensure GSK’s compliance to all federal and state US Transparency requirements. For more information, please visit GSK’s Transparency Reporting For the Record site.

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