QSAR TOXICITY PREDICTION METHOD FOR EVALUATING HEALTH EFFECT OF NANO-CRYSTALLINE METAL OXIDE

摘要

A QSAR toxicity prediction method for evaluating the health effects of nano-crystalline metal oxide relates to the field of toxic substance prediction in an environment. Specifically, the method comprises: predicting a toxicity endpoint of unknown metallic oxide according to a quantitative relationship between structural features and cytotoxicity effect of the nano-crystalline metal oxide; and is a method of building a nano-crystalline metal oxide prediction model by combining a 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 unknown toxicity endpoint. Based on a functioning model and a mechanism of toxication of the nano-crystalline metal oxide, a nano-crystalline metal oxide prediction model can be built to predict an unknown toxicity value by means of the QSAR model method, so that the toxicity endpoint prediction of various compounds'lack of toxicity data can be completed quickly and simply with less dependency on experiment testing data.