Exploring AI-Driven Molecular Informatics
Research • Innovation • CollaborationIxelis.ai combines AI and molecular informatics research to advance automated knowledge extraction, predictive chemistry, chemical safety assessment, and agentic systems for the life sciences. We collaborate with scientists and organisations to explore AI-driven and Knowledge powered approaches to scientific discovery and decision-making.
Research
We explore the intersection of cheminformatics, artificial intelligence, and scientific knowledge systems. Our research combines molecular modelling, machine learning, knowledge extraction, and agentic AI to investigate new ways of accelerating chemical discovery, safety assessment, and data-driven scientific decision making.
Predictive chemistry
We explore new approaches to predictive chemistry that improve model transparency, interpretability, and practical utility, enabling more confident decision-making at the individual compound level.
Knowledge
Knowledge lies at the heart of our vision. Scientific information should be captured, structured, monitored, and transformed into actionable knowledge that supports confident decision-making.
Collaboration
We are open to collaborative projects where cheminformatics, AI, and scientific expertise come together to create practical research value and explore new approaches to scientific decision-making.