# Principal Scientist

**Company**: GSK
**Location**: Stevenage, Hertfordshire
**Experience**: senior
**Job type**: full-time
**Category**: Data Science
**Industry**: Healthcare

**Apply**: https://gsk.wd5.myworkdayjobs.com/en-US/GSKCareers/job/UK---Hertfordshire---Stevenage/Principal-Scientist---Cheminformatics_450563-1?utm_source=yubhub.co&utm_medium=jobs_feed&utm_campaign=apply
**Canonical**: https://yubhub.co/jobs/job_4f0b9611-bc7

## Description

The Principal Scientist role within the Cheminformatics group uses large proprietary internal datasets to develop, integrate, and embed advanced computational methods and predictive in-silico models to accelerate the discovery of medicines.

**Responsibilities:**

- Build, validate, and deploy cheminformatics and machine learning methods and models to inform go/no-go across drug-discovery programmes.

- Integrate with drug discovery programme teams to embed predictive models directly into decision-making and translate computational outputs into guidance that is accessible to non-experts.

- Prototype exploratory, agent-driven workflows that combine LLM-based reasoning with cheminformatics tools, predictive models, and experimental data to accelerate hypothesis generation, literature and data triage, and iterative design / make / test / analyse cycles.

- Contribute to and validate production-quality code implementing state-of-the-art cheminformatics, computational chemistry, and quantum chemistry methods that accelerate and improve decision-making on drug discovery programmes.

- Prepare and present results of key validation experiments, details of capability builds, and developments on drug discovery projects to internal and external groups.

- Work with others within a multidisciplinary matrix team that spans different organisations and geographies to execute on joint aims.

**Requirements:**

- Relevant degree-level education (e.g., PhD or MSc in Cheminformatics, Computational Chemistry, Informatics, Life Sciences) or equivalent with a strong Chemistry foundation.

- Knowledge / Experience of programmatically collecting, combining, mining, and analysing complex biological and chemical data to build predictive models.

- Broad knowledge of computational sciences including machine learning, computational chemistry, and cheminformatics methods.

- Knowledge / Experience of computer programming and scripting languages (e.g., Python, Java, C/C++, R).

**Location:** This role will temporarily be based at Stevenage. However, the Company plans to relocate its offices to Cambridge, UK.

**Benefits:** No specific benefits mentioned.

For more fresh new jobs, check out [yubhub.co](https://yubhub.co/).

## Skills

### Required
- Artificial Intelligence (AI)
- Computational Sciences
- Computer Programming
- Data Analysis
- Data Management
- Data Modeling
- Data Science
- Predictive Modeling
- Statistical Models
- Cheminformatics
- Machine Learning
- Computational Chemistry

### Nice to have
- Chemical toolkits such as ChemAxon, RDkit
- Scientific pipelining tools such as Pipeline Pilot, KNIME
- Medicinal chemistry, HT screening, analytical chemistry, systems biology, DMPK, Tox

---

Source: [Apply at gsk.wd5.myworkdayjobs.com](https://gsk.wd5.myworkdayjobs.com/en-US/GSKCareers/job/UK---Hertfordshire---Stevenage/Principal-Scientist---Cheminformatics_450563-1?utm_source=yubhub.co&utm_medium=jobs_feed&utm_campaign=apply)