Data Science & AI Innovation Postdoctoral Fellow in Machine Learning Chemical Synthesis and Reactivity Prediction

Summary

This postdoctoral fellowship offers a unique opportunity to advance the use of artificial intelligence and machine learning for chemical synthesis and reactivity prediction in drug discovery. The successful candidate will develop and apply state-of-the-art predictive models using large-scale reaction datasets to improve chemical decision-making, reaction optimization, and molecular design, while collaborating with experts across data science, computational chemistry, medicinal chemistry, and synthesis technology.

The project aims to accelerate the Design–Make–Test–Analyze cycle and contribute to next-generation AI-powered approaches for discovering new medicines.

This postdoctoral fellowship offers a unique opportunity to advance the use of artificial intelligence and machine learning for chemical synthesis and reactivity prediction in drug discovery. The successful candidate will develop and apply state-of-the-art predictive models using large-scale reaction datasets to improve chemical decision-making, reaction optimization, and molecular design, while collaborating with experts across data science, computational chemistry, medicinal chemistry, and synthesis technology.

The project aims to accelerate the Design–Make–Test–Analyze cycle and contribute to next-generation AI-powered approaches for discovering new medicines.

Location:

Basel, Switzerland

Duration: 3 years

Program start date: latest November 15, 2026

Final date to receive applications:
September 23, 2026 EOB

Please note that this vacancy will only be advertised for a limited period, with an Final date to receive applications of September 23 EOB. We encourage interested candidates to submit their application as soon as possible. The latest start date for the program is November 15, 2026. We are excited to invite applications for the Novartis Biomedical Research Postdoctoral Fellowship Program;

a unique training opportunity designed for exceptional early-career scientists eager to tackle some of the most challenging problems in biomedical research and drug discovery.

As a Postdoctoral Research Fellow, you will join Global Discovery Chemistry in Basel and pursue an innovative research project at the forefront of biomedical science and drug discovery. You will work alongside leading scientists in a highly collaborative, multidisciplinary environment while gaining exposure to the broader ecosystem that translates scientific discovery into medicines.

Our fellows are empowered to ask bold scientific questions, apply cutting-edge technologies, and develop approaches that have the potential to transform patient care.

Join an interdisciplinary research project at the intersection of artificial intelligence, machine learning, and synthetic chemistry. This fellowship aims to develop next-generation machine learning approaches that predict chemical reaction outcomes, reaction conditions, and molecular reactivity using large-scale proprietary and public reaction datasets. By leveraging more than two decades of reaction knowledge generated within Novartis, the fellow will investigate how modern AI methods, including graph neural networks, transformer architectures, and foundation models, can improve the efficiency and success rate of chemical synthesis.

The project will focus on building predictive models that help chemists design more efficient synthetic routes, identify optimal reaction conditions, and expand access to diverse chemical space. The fellow will collaborate closely with experts in data science, computational chemistry, medicinal chemistry, and synthesis technology, with opportunities to integrate predictive chemistry models into generative AI workflows and emerging laboratory…