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AI|ffinity

AI|ffinity is a spin-off from CEITEC at Masaryk University in Brno, with facilities in Prague. Its unique platform combines nuclear magnetic resonance (NMR), artificial intelligence (AI), and cheminformatics to accelerate drug discovery and protein engineering. Specializing in hit discovery and hit-to-lead optimization, AI|ffinity decodes protein–ligand interactions from 1D NMR data and advances structure determination using 3D and 4D NMR with AI-driven analysis. The platform excels with proteins over 20 kDa and intrinsically disordered proteins, increasing success rates and reducing costs.

  • Vendor typesProducts & Devices
  • Client typesB2B (enterprises), B2B (startups and SMEs)
  • Business ImpactsCustomer Product & Service Innovation, Data-Driven Decisions & Planning, Operational Efficiency & Cost Savings, Risk Reduction & Compliance
  • IndustryHealthcare, Pharma & Biotech, Science & Research
  • Application areasProduct Development, Innovation & R&D
  • Solutions & Services

    Ready-Made Solutions

    Products & Applications, SaaS

    Research & Innovation

    Funded Research Projects, Research & Experimental Development
  • Technical expertises

    Classical AI & Applications

    Computer Vision & Video Analytics, Graph AI, Natural Language Processing (NLP), Reinforcement Learning

    Data & Infrastructure

    Specialized AI Data Platforms & Tools

    Generative AI

    GenAI Tooling & Developer Platforms

    Machine Learning & MLOps

    Classical ML & Applied Predictive Modeling

    Research & Innovation

    Advanced Algorithm & Model Development, Scientific AI Research & Publications

NMR-AI platform, 1D NMR, hit discovery, photo-CIDNP, ligand epitope mapping, intrinsically disordered proteins, 3D NMR, 4D NMR, AI resonance assignment, chemical shift prediction, protein–ligand interactions, fragment-based drug discovery, PROTAC design, epigenetic targets, hit-to-lead optimization, virtual screening, graph-based ML scoring, KD prediction, automated peak assignment, scaffold optimization, protein engineering

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