QSAR (Quantitative Structure Activity Relationship) toxicity prediction method for evaluating health effect of nano-crystalline metal oxide

Abstract

The invention relates to the field of toxic substance prediction in an environment, in particular to a QSAR (Quantitative Structure Activity Relationship) toxicity prediction method for evaluating the health effect of nano-crystalline metal oxide. The method comprises the steps of predicting the toxicity endpoint of unknown metallic oxide according to a quantitative relation between structural features and cytotoxicity effect of the nano-crystalline metal oxide; building a nano-crystalline metal oxide prediction model by combining the physicochemical structure parameter and a special mechanism of toxication of the nano-crystalline metal oxide, and applying the nano-crystalline metal oxide prediction model to predict the toxicity endpoint of the unknown metallic oxide. According to the QSAR toxicity prediction method provided by the invention, based on a function model and the toxicity prediction method of the nano-crystalline metal oxide, and the nano-crystalline metal oxide prediction model can be built to predict an unknown toxicity value through the QSAR model method, therefore the toxicity endpoint prediction of various compounds lack of toxicity data can be completed quickly and simply with less dependency.

Description

technical field [0001] The invention relates to the field of prediction of toxic substances in the environment, in particular to a QSAR toxicity prediction method for evaluating the health effects of nanometer metal oxides. Background technique [0002] The fruitful results based on nanotechnology have benefited people a lot. Nanomaterials have been widely used in people's daily necessities, in biomedical fields such as drug carriers, cancer treatment, gene therapy, antibacterial materials, medical diagnosis, biosensors, etc. It has wider application prospects. Nano-metal oxides are an important part of industrial production of nanoparticles, and have high application value in food, materials, environmental protection, chemistry and biomedicine. However, people are increasingly worried that the nano-characteristics of nanomaterials, such as small size effects, surface and interface effects, and quantum size effects, may cause special biological effects, pose threats to huma...

AI Technical Summary

Problems solved by technology

[0004] In general, the above methods only provide preliminary model predictions for the toxicity of nano-metal ions, and there is a lack of systematic research and reliable prediction methods for the qualitative pattern recognition and quantitative prediction of the toxic effects of nano-metal oxides.

Images