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Advancing risk assessment of engineered nanomaterials: application of computational approaches

artículo científico

Combinatorial × computational × cheminformatics (C3) approach to characterization of congeneric libraries of organic pollutants

artículo científico publicado en 2012

Decision tree models to classify nanomaterials according to the DF4nanoGrouping scheme

artículo científico publicado en 2017

Determination of the adsorption mechanism of imidazolium-type ionic liquids onto kaolinite: implications for their fate and transport in the soil environment

artículo científico publicado en 2008

Development of computational models for the prediction of the toxicity of nanomaterials ⬇️

journal article from 'Perspectives in Science' published in 2015

Efficient way of designing fullerene derivatives based on simplified DFT calculations and QSPR modeling

scholarly article by Celina Sikorska et al published March 2016 in Chemometrics and Intelligent Laboratory Systems

ILPC: simple chemometric tool supporting the design of ionic liquids

artículo científico publicado en 2016

Modeling adsorption of brominated, chlorinated and mixed bromo/chloro-dibenzo-p-dioxins on C60 fullerene using Nano-QSPR.

artículo científico publicado en 2017

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