NanoSolveIT
NanoSolveIT will develop a validated tiered IATA to identify the critical characteristics of nanomaterials responsible for their adverse effects on human health and the environment or for their functionalities in high-tech applications, and will implement a nanoinformatics-driven decision-support strategy based on innovative in silico methods, models and tools. An important novel concept is the nanomaterial fingerprint – a set of descriptors and properties that can be predictively linked to nanomaterials properties, functionality and hazard by the development and integration of advanced nanoinformatics methods and tools.
This work received funding from the European Union's Horizon 2020 research and innovation program via NanoSolveIT project under grant agreement nº 814572. More information at: nanosolveit.eu
Services
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NanoXtract
NanoXtract is a unique online tool for the calculation of 18 image descriptors based on Transmission Electron Microscopy (TEM) images of nanomaterials.
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NInChI: InChI generation for NMs
This tool enables the generation of NInChI for a nanomaterial (NM) of preference, assuming that the NM is specified following the inside-to-outside structure approach.
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Ecotox read-across models
This web-service hosts two ecotox models that predict the toxicological effects on Daphnia Magna of freshly dispersed and 2-year aged nanomaterials.
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Image nanodescriptors zeta-potential model
A kNN/read-across model for the prediction of nanomaterials (NMs) zeta-potential based on the NM type of core, main elongation and medium's pH value.
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Cytotoxicity prediction for MeOx NMs
The web service provides the functionality to predict the cytotoxicity on human bronchial epithelial and murine myeloid cell lines of metal oxide nanoparticles.
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Facet cytotoxicity prediction for MeOx nanomaterials
This web tool is an implementation of a model predicting the toxicity of metal oxide nanomaterials towards bronchial epithelial, murine myeloid and E. coli cell lines.
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SimpleBox4Nano: environmental fate
SimpleBox4nano simulates the environmental fate of chemicals as fluxes between a series of well-mixed boxes of air, water, sediment and soil on regional, continental and global spatial scales.
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NanoSolveIT Tool for Hamaker constant calculation
A web tool for the calculation of Hamaker constant, a descriptor of the effect of the dispersion medium on the attraction of two nanoparticles.
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Nanomaterials occupational exposure simulation
This application is based on the aerosol dynamics particle population balance equation model and is used for estimating nanomaterials' concentration evolution over time in indoor spaces.
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IATA: integration of PBPK and occupational exposure
This web application enables the use of PBPK models for simulating the biodistribution of nanoparticles in humans as a result of exposure via the inhalation route.
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Nanomaterials lung exposure dose simulation
This model takes as input the evolution over time of the nanomaterials' concentration in an indoor space and computes its deposition dose in various human's respiratory regions.
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MS3bD zeta potential model
This web service provides the functionality to predict the zeta-potential in water of individual or a set of engineered nanomaterials based on physicochemical and molecular properties.