Multi-source information medicine screening method based on knowledge graph
A knowledge graph and multi-source information technology, applied in the field of drug screening, can solve the problems of ignoring non-structural information and ligand expansion information, reducing the accuracy and reliability of docking results, and weak correlation in subsequent steps. The effect of improving the degree and reliability, being conducive to screening, and improving the utilization of computing resources
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[0045] The present invention will be further described below in conjunction with the accompanying drawings and specific embodiments.
[0046] Such asfigure 1 As shown, the multi-source information drug screening method based on knowledge graph provided in this embodiment includes the following steps:
[0047] 1) Fusion of multi-source heterogeneous data sources
[0048] According to the characteristics of different data, artificial screening and semi-supervised machine learning methods are used to extract structured and semi-structured data downloaded from various pharmacy-related websites through knowledge extraction technology from a large number of pharmacy-related literature. Various types of entity information and information of various types of relationships between entities are established and integrated with each other.
[0049] 2) Optimize molecular structure
[0050] Transform the compound molecules in the knowledge graph system from two-dimensional structure to th...
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