FRESH WATER ACUTE STANDARD PREDICTION METHOD BASED ON METAL QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP

• Main Authors: LIAO, Haiqing, WU, Fengchang, MU, Yunsong, WANG, Ying, ZHAO, Xiaoli, BAI, Yingchen
• Format: Patent
• Language: Chinese; English; French
• Published: 17.11.2016
• Subjects: CALCULATING; COMPUTING; COUNTING; DATA PROCESSING SYSTEMS OR METHODS, SPECIALLY ADAPTED FORADMINISTRATIVE, COMMERCIAL, FINANCIAL, MANAGERIAL, SUPERVISORYOR FORECASTING PURPOSES; ELECTRIC DIGITAL DATA PROCESSING; INFORMATION AND COMMUNICATION TECHNOLOGY [ICT] SPECIALLY ADAPTEDFOR SPECIFIC APPLICATION FIELDS; PHYSICS; SYSTEMS OR METHODS SPECIALLY ADAPTED FOR ADMINISTRATIVE,COMMERCIAL, FINANCIAL, MANAGERIAL, SUPERVISORY OR FORECASTINGPURPOSES, NOT OTHERWISE PROVIDED FOR

Provided is a fresh water acute standard prediction method based on a metal quantitative structure-activity relationship. The toxicity end-point of an unknown metal is predicted according to a quantitative relationship between structural features of heavy metal ions and an aquatic organism acute toxicity effect, and in conjunction with the sensitivity distribution of different species, the dangerous concentration is analysed and derived for protecting aquatic organisms in different proportions; the method establishes a QSAR metal toxicity prediction model by combining heavy metal physicochemical structural parameters and toxication mechanism of different aquatic organisms, and the model is applied to a method for predicting an unknown standard reference value. The method is based on an ecological principle. Aquatic species in five phyla and eight families are systematically screened as a minimum biological prediction set, to respectively establish a multi-parameter toxicity prediction model and improve the mo