Xeureka provides solutions for drug discovery research in the areas of both the Dry (computational) and Wet (experimental) drug discovery.
We will develop further value-added services in collaboration with external partners that can provide significant experimental technology capabilities.

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      Ultra Large Primary Screening

    Utilizing a variety of domestic and overseas CRO partners, we can prepare compounds and conduct assays
    to experimentally verify the biological activity of compounds identified by ultra-large scale virtual screening.

    Service Flow

    • Target Analysis

      We evaluate the drug target and assess the feasibility of Virtual Screening, compound procurement, and assay availability for Wet Verification.

    • Ultra-Large Scale
      Virtual Library Preparation

      Preparation of ultra large sized virtual compound libraries to meet customer needs (Wuxi, Enamine, ChemDiv, etc.)

    • High-Resolution Structure and Data Processing

      ・Structure-based (SB): The resolution of structural data can be improved, as needed.

      ・Ligand-based (LB): We collect and curate public data, combining it with proprietary customer data, to create an AI model

    • Virtual Screening (VS) Conducted

      We conduct 3 levels of SBVS computation:
      ・Fast Screening (Active Learning)
      ・High-Accuracy Docking
      ・Rescoring (MM/QM/AFEP)

      LBVS is based on similarity searching using
      an AI model with unbiased scoring.

    • Wet Synthesis and Verification

      Hundreds to dozens of compounds are prepared and tested experimentally, with physical samples provided, as needed.