Metal shape and validity based aquatic toxicity prediction method

• Main Authors: ZHAO YUJIE, WANG YING, ZHAO XIAOLI, LIAO HAIQING, BAI YINGCHEN, MU YUNSONG, WU FENGCHANG
• Format: Patent
• Language: English
• Published: 18.11.2015
• Subjects: CALCULATING; COMPUTING; COUNTING; ELECTRIC DIGITAL DATA PROCESSING; PHYSICS

The invention relates to the field of prediction of toxic matters in the environment, in particular to a metal shape and validity based aquatic toxicity prediction method. An ''in-situ'' toxicity end point of unknown metal is predicted according to quantitative relations among metal structure features, external environment conditions and aquatic toxicity effects; and a metal toxicity coupling prediction model is established in combination with the bio-availability and a special toxication mechanism of metal and is applied to the prediction of the toxicity effect end point of the unknown metal. According to the method, the metal toxicity prediction model is constructed based on the bio-availability and the toxication mechanism of the metal, an unknown toxicity value is predicted with a QSAR model method, and the prediction of the ''in-situ'' toxicity end point of various metal with toxicity data shortage is quickly and simply finished by a relatively small amount of experiment and test data.