This position is listed on behalf of a partner company, who manages all applications and next steps. Our partner is looking for a Principal ML Scientist – Predictive Toxicology based in Spain.

This role offers the opportunity to shape the future of machine learning applications in life sciences and drug discovery.
You will lead the scientific strategy behind predictive toxicology and quantitative biology initiatives, transforming complex biological data into impactful AI-driven solutions.
Working at the intersection of machine learning, computational biology, and pharmaceutical research, you will help develop models that improve therapeutic discovery and decision-making.
The position combines scientific leadership with hands-on technical contribution, allowing you to influence both product direction and customer outcomes.
You will collaborate with industry partners, researchers, and technical teams to integrate advanced modelling approaches into real-world workflows.
This is a high-impact opportunity for a scientist who wants autonomy, ownership,



and the chance to advance AI-powered innovation in healthcare.

Accountabilities:

The Principal ML Scientist will own the expansion of predictive toxicology and quantitative biology capabilities, defining scientific direction and delivering machine learning solutions that create value for life sciences partners.
- Lead the development and execution of the scientific strategy for predictive toxicology, quantitative biology, and related drug discovery workflows.
- Define modelling approaches, biological endpoints, and data strategies that support better safety and efficacy decisions in pharmaceutical research.
- Build and optimize machine learning models using advanced molecular AI techniques, including approaches such as graph neural networks, message-passing architectures, and transformer-based models.
- Apply federated learning approaches to enable collaborative model development across multiple organizations while maint

📌 Principal ML Scientist – Predictive Toxicology (España)
🏢 Jobgether
📍 España