Senior Applied AI Cheminformatician

Senior Applied AI Cheminformatician

2026-08-02T00:00:00

Leeds

West Yorkshire

UK

LS1 3

Any

Lhasa Limited

2026-08-31T03:00:10.587

0

0

Summary of the Role

This role will be part of a team which will focus on identifying and applying innovative AI techniques which can enhance our solutions and ways of working at Lhasa. The role holder must be able to understand when insights are sufficient to move forward, ensuring their work is actively supporting business strategy. The ideal candidate will possess a strong scientific background, deep cheminformatics expertise, and the technical ability to apply existing and emerging AI tools to real-world problems - focusing on application over research to ensure rapid delivery and product impact.

The successful candidate will ensure alignment with our company values; ownership, collaboration, integrity, diversity & inclusion, and curiosity & adaptability to deliver productised solutions at pace.

Main Responsibilities

Technical Application & Innovation

• Apply machine learning methods, knowledge-based expert systems, large language models, and cheminformatics techniques to drive innovation across Lhasa's portfolio.
• Enhance automation processes to accelerate model development and deployment.
• Ensure robust validation, interpretability, and explainability of models.
• Contribute to scientific publications and presentations at international conferences and company events.

Collaboration & Communication

• Work effectively with cross-functional teams (e.g., software development, science, application science) to ensure alignment and knowledge-sharing.
• Communicate complex concepts and findings to non-expert audiences effectively.

Continuous Learning & Improvement

• Stay updated with the latest research and advancements in AI and cheminformatics.
• Demonstrate evidence of self-learning and growth in new techniques.

Team Development

• Train and support other scientists in the application of AI best practices, ensuring they are proficient in using advanced computational tools and techniques to solve chemical informatics problems.

Technical Expertise

• Strong programming and data science skills (e.g. Python, RDKit, scikit-learn, TensorFlow/PyTorch)
• Advanced knowledge and skills in cheminformatics and developing AI methods (including but not limited to machine learning, chemical representation, QSAR, generative models, graph NNs, transformers, large language models, data quality/curation, interpretability and explainability)
• Demonstrable ability to integrate self-learned techniques into practical, impactful solutions.
• Understanding of the relationship between chemical structure and properties such as reactivity and mechanisms of toxicity

Key Attributes & Behaviours

We are looking for someone who:

• Owns their development and outcomes, acting proactively to find opportunities for impact.
• Collaborates effectively across diverse technical and scientific teams.
• Demonstrates agility in adapting to change and evolving technologies.
• Shows curiosity to explore, learn and apply new tools and methods.
• Embodies adaptability by balancing scientific rigour with pragmatic delivery.

Leadership & Culture

• Ability to lead and influence in a cross-disciplinary team and mentor others technically and professionally.
• Ability to foster a culture of agility, collaboration, and curiosity, aligning with company values
• Demonstrate growth mindset and resilience - giving and receiving feedback to support individual and business growth

Industry Experience

• Advanced expertise in cheminformatics including chemical representation, QSAR, data curation, and molecular similarity.
• Proven track record in applying AI techniques to life sciences, particularly in developing models based on chemical structures and biological mechanisms.
• Demonstrated ability to accelerate AI adoption through automation, minimizing lengthy research cycles.
• Comfort working in agile, fast-paced environments where rapid iteration and delivery are essential.

#s1-Gen

Summary of the RoleThis role will be part of a team which will focus on identifying and applying innovative AI techniques which can enhance our solutions and ways of working at Lhasa. The role holder must be able to understand when insights are sufficient to move forward, ensuring their work is actively supporting business strategy. The ideal candidate will possess a strong scientific background, deep cheminformatics expertise, and the technical ability to apply existing and emerging AI tools to real-world problems - focusing on application over research to ensure rapid delivery and product impact.The successful candidate will ensure alignment with our company values; ownership, collaboration, integrity, diversity & inclusion, and curiosity & adaptability to deliver productised solutions at pace
Main Responsibilities Technical Application & InnovationApply machine learning methods, knowledge-based expert systems, large language models, and cheminformatics techniques to drive innovation across Lhasa's portfolio.Enhance automation processes to accelerate model development and deployment.Ensure robust validation, interpretability, and explainability of models.Contribute to scientific publications and presentations at international conferences and company events.Collaboration & Communication:Work effectively with cross-functional teams (e.g., software development, science, application science) to ensure alignment and knowledge-sharing.Communicate complex concepts and findings to non-expert audiences effectively.Continuous Learning & ImprovementStay updated with the latest research and advancements in AI and cheminformatics.Demonstrate evidence of self-learning and growth in new techniques.Team DevelopmentTrain and support other scientists in the application of AI best practices,
ensuring they are proficient in using advanced computational tools and techniques to solve chemical informatics problems.
Technical ExpertiseStrong programming and data science skills (e.g. Python, RDKit, scikit-learn, TensorFlow/PyTorch)Advanced knowledge and skills in cheminformatics and developing AI methods (including but not limited to machine learning, chemical representation, QSAR, generative models, graph NNs, transformers, large language models, data quality/curation, interpretability and explainability)Demonstrable ability to integrate self-learned techniques into practical, impactful solutions.Understanding of the relationship between chemical structure and properties such as reactivity and mechanisms of toxicity
Key Attributes & BehavioursWe are looking for someone who:Owns their development and outcomes, acting proactively to find opportunities for impact.Collaborates effectively across diverse technical and scientific teams.Demonstrates agility in adapting to change and evolving technologies.Shows curiosity to explore, learn and apply new tools and methods.Embodies adaptability by balancing scientific rigour with pragmatic delivery.
Leadership & Culture Ability to lead and influence in a cross-disciplinary team and mentor others technically and professionally.Ability to foster a culture of agility, collaboration, and curiosity, aligning with company valuesDemonstrate growth mindset and resilience - giving and receiving feedback to support individual and business growth
Industry ExperienceAdvanced expertise in cheminformatics including chemical representation, QSAR, data curation, and molecular similarity.Proven track record in applying AI techniques to life sciences, particularly in developing models based on chemical structures and biological mechanisms.Demonstrated ability to accelerate AI adoption through automation, minimizing lengthy research cycles.Comfort working in agile, fast-paced environments where rapid iteration and delivery are essential.