AI|ffinity

AI|ffinity develops NMR-AI software and offers NMR-based services for early drug discovery. Its products include deepHitExplorer for ligand binding prediction and hit ranking, 4D-GraFID for NMR structure determination of proteins up to about 30 kDa, and a web portal for protein chemical shift assignment and structure determination. Its services cover fragment screening with photo-CIDNP NMR, a gene-to-structure pipeline, and orthogonal validation with MST and SPR.

The website does not name specific customer types; it describes its work as serving early drug discovery and structural biology. The business appears to combine software licensing through its SaaS portal with fee-based services and consulting, including the HT-REX molecular simulation workflows. A further offering, deepScaffOpt, is marked as coming soon.

The company was founded in 2021 as a spin-off from Masaryk University and is supported by CEITEC in Brno, where its headquarters are located at JIC INMEC in Brno-Medlánky. It also has facilities at the Hradčanská Office Center in Prague. The website lists public funding from Czech Invest, Programme Delta, TREND 12 and EU MPO, and shows one open position, a part-time Drug Discovery research scientist.

Product: NMR-AI software (deepHitExplorer, 4D-GraFID), a web SaaS portal for NMR protein analysis, and fragment screening and structure determination services.