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How can OpenMed be applied to accelerate compound screening in drug discovery scenarios?

2025-08-20 302

Drug Discovery AI Workflow Construction

Provides solutions for the three core aspects of drug discovery and development:

  • Literature Mining::
    1. utilizationOpenMed-NER-ChemicalSeries extracts compounds from PubMed literature
    2. add sth. into a groupRelation ExtractionModeling Role Relationship Networks
    3. Example: Drug-target pairs from "Ridecivir inhibits SARS-CoV-2 protease activity".
  • Analysis of test data::
    • Processing of electronic laboratory records (ELN) was performed with theOpenMed-NER-DosageIdentify concentration data
    • Physical linkage technology to standardize "5-FU" to "Fluorouracil"
  • knowledge graph construction::
    from openmed import build_kg
    kg = build_kg(research_papers, 
                entity_types=['CHEMICAL','GENE','DISEASE'],
                model='OpenMed-NER-MultiDetect-434M')

The Pfizer team's case shows that after adopting OpenMed's compound identification process, the efficiency of literature screening increased by 40% and the new drug target discovery cycle was shortened from 6 months to 3 months. The key is integration in the pipelineOpenMed/OpenMed-NER-ADMET-290MModeling to predict compound properties.

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