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. (c) 2012 Elsevier Ltd. All rights reserved.
Novel application of the CORAL software to model cytotoxicity of metal oxide nanoparticles to bacteria Escherichia coli
GINI, GIUSEPPINA;
2012-01-01
Abstract
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. (c) 2012 Elsevier Ltd. All rights reserved.File in questo prodotto:
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