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
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Target Analysis
We evaluate the drug target and assess the feasibility of Virtual Screening, compound procurement, and assay availability for Wet Verification.
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Ultra-Large Scale
Virtual Library PreparationPreparation of ultra large sized virtual compound libraries to meet customer needs (Wuxi, Enamine, ChemDiv, etc.)
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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.
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