Enalos Nanoinformatics Cloud Platform: A Safe-by-Design Tool for Functionalised Nanomaterials
Online toxicity and protein binding of carbonic anhydrase (CA) predictions for decorated multiwalled carbon nanotubes (MWCNTs) are made available through Enalos Cloud Platform, which hosts a fully validated predictive model developed by NovaMechanics Ltd based only on the structure of the decorating molecules.
The user-friendly web service will facilitate the computer-aided design of novel MWCNTs by the interested users (computational experts or not); the Enalos Cloud platform can be easily accessed and can be directly explored by anyone interested in MWCNTs design to optimise functionality and safety (i.e. safe-by-design), without any need for prior programming skills. During a safe-by-design process, different data sets with decorators of interest can be imported, and their effects on the biological and toxicity behavior of the resulting decorated MWCNTs can be studied.
Keywords: nanoQSAR, nanomaterials