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

• Main Authors: LIAO, Haiqing, WU, Fengchang, MU, Yunsong, LIU, Yuedan, ZHAO, Xiaoli, BAI, Yingchen, PANG, Chengfang, QIE, Yu
• Format: Patent
• Language: Chinese; English; French
• Published: 22.12.2016
• Subjects: CALCULATING; COMPUTING; COUNTING; ELECTRIC DIGITAL DATA PROCESSING; GENERAL TAGGING OF CROSS-SECTIONAL TECHNOLOGIES SPANNING OVER SEVERAL SECTIONS OF THE IPC; GENERAL TAGGING OF NEW TECHNOLOGICAL DEVELOPMENTS; HEALTHCARE INFORMATICS, i.e. INFORMATION AND COMMUNICATIONTECHNOLOGY [ICT] SPECIALLY ADAPTED FOR THE HANDLING ORPROCESSING OF MEDICAL OR HEALTHCARE DATA; INFORMATION AND COMMUNICATION TECHNOLOGY [ICT] SPECIALLY ADAPTEDFOR SPECIFIC APPLICATION FIELDS; PHYSICS; TECHNICAL SUBJECTS COVERED BY FORMER USPC CROSS-REFERENCE ART COLLECTIONS [XRACs] AND DIGESTS; TECHNOLOGIES FOR ADAPTATION TO CLIMATE CHANGE; TECHNOLOGIES OR APPLICATIONS FOR MITIGATION OR ADAPTATION AGAINSTCLIMATE CHANGE

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 comp