Use of the index of ideality of correlation to improve models of eco-toxicity.
Authors of this article are:
Toropova AP Toropov AA.
A summary of the article is shown below:
Persistent organic pollutants are compounds used for various everyday purposes, such as personal care products, food, pesticides, and pharmaceuticals. Decomposition of considerable part of the above pollutants is a long-time process. Under such circumstances, estimation of toxicity for large arrays of organic substances corresponding to the above category of pollutants is a necessary component of theoretical chemistry. The CORAL software is a tool to establish quantitative structure-activity relationships (QSARs). The index of ideality of correlation (IIC) was suggested as a criterion of predictive potential of QSAR. The statistical quality of models for eco-toxicity of organic pollutants, which are built up, with use of the IIC is better than statistical quality of models, which are built up without use of data on the IIC.
Check out the article’s website on Pubmed for more information:
This article is a good source of information and a good way to become familiar with topics such as: CORAL software;Eco-toxicity;Index of ideality of correlation;Monte Carlo method;QSAR.
Categories: Science News