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 | Enalos Nanoinformatics Cloud Platform: A Safe-by-Design Tool for Functionalised Nanomaterials |
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Description
A fully validated predictive QNAR model correlating molecular descriptors of the decorating molecules of multi-walled carbon nanotubes and their toxicity, and biological activity (protein binding of carbonic anhydrase).
More information on the models’ development can be found in “Varsou, D. D., Afantitis, A., Tsoumanis, A., Melagraki, G., Sarimveis, H., Valsami-Jones, E., and Lynch, I. (2019). A safe-by-design tool for functionalised nanomaterials through the Enalos Nanoinformatics Cloud platform. Nanoscale Advances.”
"A detailed tutorial of the corresponding web-app can be found in pdf format. A demonstration video is available here
More information on the models’ development can be found in “Varsou, D. D., Afantitis, A., Tsoumanis, A., Melagraki, G., Sarimveis, H., Valsami-Jones, E., and Lynch, I. (2019). A safe-by-design tool for functionalised nanomaterials through the Enalos Nanoinformatics Cloud platform. Nanoscale Advances.”
"A detailed tutorial of the corresponding web-app can be found in pdf format. A demonstration video is available here