Chemical health hazard screening method

Abstract

A chemical health hazard screening method mainly comprises the following steps: decomposing a known pharmacodynamic drug structure and transcriptomic characteristics by a non-negative matrix to establish a structure-health impact-transcriptomic association network model; conducting internal validation on the association network model from the aspects of the therapeutic effect and the structural similarity; obtaining a chemical health hazard screening criteria based on the structure matching degree of the determined drug efficacy and each health impact of the model; utilizing the chemical health hazard screening criteria for sorting and screening of chemical health hazards within a model application domain. According to the method, the pharmaconomics big data is utilized to establish an evaluation screening model that multiple health hazard rankings can be obtained by simply inputting a chemical structure, the difficulty that accurate prediction of complex toxicity and simultaneous screening of multiple health impacts cannot be achieved by simple structure similarity in the chemical health risk evaluation is overcome, and the method has wide application prospects in the chemical health risk evaluation field.

Description

technical field [0001] The invention relates to the technical field of chemical health hazard assessment, and more particularly relates to a method for screening chemical health hazards. Background technique [0002] At present, environmental safety and health problems caused by environmental chemical pollution are becoming increasingly prominent. Chemicals of different structural types have been detected in various environmental media and exposed populations. The "cancer villages" that have appeared in many places are closely related to pollution such as metals and organic substances. According to the cause of death survey data, the morbidity and mortality of major diseases such as malignant tumors are on the rise year by year. WHO pointed out that 21% of the medical burden of Chinese residents comes from environmental pollution factors. As early as 1996, the book "Our Stolen Future" pointed out the great threat of chemical pollution to human survival and reproduction. In ...

AI Technical Summary

Problems solved by technology

In 2010, Rappaport and Smith wrote an article in Science clearly pointed out that 70-90% of diseases are caused by the environment rather than genetic differences. However, although there is a consensus that chemical pollution can cause health risks, the possible health hazards caused by different chemicals are due to the different damage mechanisms. complexities have not yet been elucidated

[0007] To sum up, the structure-activity relationship prediction technology is difficult to accurately screen and predict the complex toxicity of chemicals, and the model based on pure biological information can simultaneously analyze and rank the effects of multiple organisms, but cannot extrapolate the structure of health hazards

Existing methods for association analysis of chemical structures and biological information (especially omics information) have not yet developed screening and prediction methods for health hazards of exogenous chemicals based on structure-omics association analysis due to data limitations

The results of literature and patent searches show that before the completion of the present invention, no reports have been found on the use of structure-omics data association analysis methods for predicting chemical health hazard screening, and naturally there has been no use of NMF methods for chemical health hazards. Hazard Screening Reporting

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