美国化学会:2023年知识图谱加速COVID-19疗法研究报告(英文版)(14页).pdf

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美国化学会:2023年知识图谱加速COVID-19疗法研究报告(英文版)(14页).pdf

1、1CAS BIOMEDICAL KNOWLEDGE GRAPHIdentifying candidate drugs for repurposing as COVID-19 therapeuticsWhen pandemics strike,drug repurposing becomes critical for faster development of therapies.However,assembling all of the critical information and connections around new proteins,viruses,targets,pathwa

2、ys,and clinical information can be challenging.CAS leverages their unique connections across the worlds science for novel knowledge graphs that identify top clinical candidates to repurpose for COVID-19 therapies.IntroductionAlpelisibNodeNodeNodeNodeNodeFOSp53STAT3VascularinflammationInhibits(edge)(

3、edge)Upregulates(edge)(edge)Associated withUpregulates3Curating and interpreting data:What are knowledge graphs?Knowledge graphs represent a collection of data,descriptions,and relationships from disparate sources to model a particular area of interest.These graphs integrate massive amounts of data

4、and their connections reveal insights that accelerate scientific progress.Each unit of data can be thought of as a dot(or node)connected to other units by lines(or edges)that represent the relationships between the nodes.This approach places as much importance on the relationships that connect data

5、as on the data itself.While knowledge graphs are not necessarily new,their value has continually grown as scientific publications have grown in volume,complexity,and across disciplines to enable better discovery.Figure 1 below provides a small,highly simplified example of using a knowledge graph to

6、predict which drugs might inhibit vascular inflammation.Traditional databases may only show direct inhibitors of transcription factor STAT3,but a knowledge graphs ability to show deeper data connections will present with inhibitors that might act further down the pathway,such as Alpelisib.Figure 1:V

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