Senior AI Computational Chemist for Oncology Drug Design

ASTRAZENECA UK LIMITED; Hartford; On-site; GBP 50,000 - 70,000; Full time

Job summary

A leading biopharmaceutical company in the UK is seeking an AI-specialist Computational Chemist to drive AI-driven molecular design for oncology projects. You will apply advanced machine learning and cheminformatics methods to enhance drug discovery and decision-making. The successful candidate will have a PhD in Chemistry or related fields and strong expertise in AI and computational techniques. This role fosters a collaborative environment where innovative ideas are valued, and you will have opportunities to publish your findings.

Qualifications

• Strong knowledge of machine learning and computational chemistry.
• Experience in predictive or generative AI/ML methods in chemistry.
• Proficiency in programming and pipelining tools.

Responsibilities

• Lead AI-driven molecular design strategies using generative AI.
• Build and validate machine learning models for various properties.
• Convert computational insights into clear design hypotheses.
• Create cheminformatics pipelines and automated decision-support tools.
• Evaluate and drive adoption of new AI methodologies across teams.
• Present complex results to multidisciplinary audiences.

Skills

Machine learning

Computational chemistry

Cheminformatics

Python programming

RDKit

Data analysis

Education

PhD in Chemistry or related discipline

Tools

scikit-learn

PyTorch

DeepChem

Job description

A leading biopharmaceutical company in the UK is seeking an AI-specialist Computational Chemist to drive AI-driven molecular design for oncology projects. You will apply advanced machine learning and cheminformatics methods to enhance drug discovery and decision-making. The successful candidate will have a PhD in Chemistry or related fields and strong expertise in AI and computational techniques. This role fosters a collaborative environment where innovative ideas are valued, and you will have opportunities to publish your findings.