کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
4409822 | 1307512 | 2012 | 5 صفحه PDF | دانلود رایگان |
![عکس صفحه اول مقاله: Novel application of the CORAL software to model cytotoxicity of metal oxide nanoparticles to bacteria Escherichia coli Novel application of the CORAL software to model cytotoxicity of metal oxide nanoparticles to bacteria Escherichia coli](/preview/png/4409822.png)
Convenient to apply and available on the Internet software CORAL (http://www.insilico.eu/CORAL) has been used to build up quantitative structure–activity relationships (QSAR) for prediction of cytotoxicity of metal oxide nanoparticles to bacteria Escherichia coli (minus logarithm of concentration for 50% effect pEC50). In this study six random splits of the data into the training and test set were examined. It has been shown that the CORAL provides a reliable tool that could be used to build up a QSAR of the pEC50.
► The CORAL software for the building up of QSPR/QSAR models is suggested.
► The CORAL model for cytotoxicity of metal oxide nanoparticles is demonstrated.
► The model is a mathematical function of the numbers of oxygen atoms and double bonds.
Journal: Chemosphere - Volume 89, Issue 9, November 2012, Pages 1098–1102