Chemistry AI Search & Evaluation Expert

Position: Chemistry AI Search & Evaluation Expert

Location: Frankfurt, Germany (Hybrid)

Do you enjoy combining chemistry expertise with GenAI search techniques to help users find the right scientific information faster? Are you excited about shaping how researchers search, retrieve, and interact with chemistry data using next‑generation AI solutions?

About Reaxys

Reaxys is a comprehensive and powerful cloud hosted and deep-tech data searching tool that is used by thousands of chemists, researchers and students throughout the world to retrieve chemistry patents, chemical reactions, substance data and other related chemistry information using a highly performant chemical structure search engine. Supported by continuous updates and robust taxonomies, Reaxys can be searched using natural language, drawn chemical structures, formulas, physical property parameters, and more. Trusted for over 30 years by large pharma, innovative startups, large tech, private and public sector research hubs and universities alike, Reaxys is a partner to the pharma, medicinal chemistry and chemical industries.

About our Team

Our team transforms scientific information into structured data and works closely with Data Science and Technology partners to design, train, and validate new AI‑driven search capabilities. Together, we contribute our expertise to deliver innovative solutions that enhance how chemistry knowledge is discovered.

About the Role

As a Chemistry AI Search & Evaluation Expert , you will bring chemistry expertise together with GenAI search practices to optimise how users find and retrieve chemistry information. You will help design and evaluate GenAI‑based search behaviours, create high‑quality test sets for training and validation, and collaborate with Data Science and Technology partners to shape new AI search solutions for Reaxys.

Responsibilities

• Designing and curating large chemistry test sets to support training and evaluation of GenAI‑based search models.
• Providing chemistry domain expertise to guide search relevance, prompting strategies, and retrieval optimisation.
• Collaborating with Data Science and Technology partners to build, test, and refine AI‑driven search capabilities.
• Analysing GenAI search results to identify quality issues and opportunities for improved accuracy and relevance.

Requirements

• Background in chemistry related scientific discipline.
• Master's / PhD or equivalent degree in Bioinformatics, Cheminformatics, Computational Biology /Chemistry or allied fields
• Ability to design evaluation datasets and assess the quality of AI‑generated search results.
• Understanding of how chemistry data is structured, represented, and retrieved in scientific information systems (e.g. databases, taxonomies, or similar systems).
• Solid technical understanding (e.g. data flows, APIs, GitHub)
• Strong analytical and communication skills to work effectively with scientific and technical partners.

Work in a way that works for you

We promote a healthy work/life balance across the organisation. We offer an appealing working prospect for our people. With numerous wellbeing initiatives, shared parental leave, study assistance and sabbaticals, we will help you meet your immediate responsibilities and your long-term goals.

• Work on a high-impact platform used by scientists and innovators worldwide
• Embrace the future of software engineering with AI development tools
• Collaborate with a diverse, global team.
• Flexible hybrid work environment

About the business

A global leader in information and analytics, we help researchers and healthcare professionals advance science and improve health outcomes for the benefit of society. Building on our publishing heritage, we combine quality information and vast data sets with analytics to support visionary science and research, health education and interactive learning, as well as exceptional healthcare and clinical practice. What you do every day will help advance science and healthcare to advance human progress.