
AI|ffinity speeds early drug discovery and protein engineering by combining NMR data with AI to identify hits and optimize leads faster. The company integrates ultra-fast 1D ligand-observed and rapid 2D protein-observed NMR with 3D/4D/5D experiments, AI-driven software, and cheminformatics in a lab-in-the-loop NMR-AI platform. This platform reads atomic-level interactions from both ligand and protein perspectives to improve hit identification, structure determination, and hit-to-lead optimization. Customers include pharmaceutical and biotechnology companies, NMR centers, and academic groups, and the offering functions as a TechBio B2B platform that complements existing discovery workflows. By shortening experimental cycles and enriching structural insight, AI|ffinity aims to raise success rates and reduce early discovery costs.

AI|ffinity speeds early drug discovery and protein engineering by combining NMR data with AI to identify hits and optimize leads faster. The company integrates ultra-fast 1D ligand-observed and rapid 2D protein-observed NMR with 3D/4D/5D experiments, AI-driven software, and cheminformatics in a lab-in-the-loop NMR-AI platform. This platform reads atomic-level interactions from both ligand and protein perspectives to improve hit identification, structure determination, and hit-to-lead optimization. Customers include pharmaceutical and biotechnology companies, NMR centers, and academic groups, and the offering functions as a TechBio B2B platform that complements existing discovery workflows. By shortening experimental cycles and enriching structural insight, AI|ffinity aims to raise success rates and reduce early discovery costs.
What they do: NMR–AI platform that accelerates hit discovery, lead optimization, and NMR structure determination
Founded: 2021 (Masaryk University spin-off)
Headquarters: Brno, Czech Republic (with a Prague hub)
Customers: Pharma/biotech companies, NMR centers, academic groups
Recent funding: Seed round closed Nov 13, 2024; disclosed investors include Garage Angels and JIC Ventures
Early drug discovery, protein engineering, NMR structure determination (including intrinsically disordered proteins and targets up to ~30 kDa)
2021
Biotechnology
Publicly disclosed investors include Garage Angels and JIC Ventures; company lists Czech Invest and Programme Delta as non-equity funding/support.
“Garage Angels, JIC Ventures”