Neuroinformatics and Computational Modelling as Complementary Tools for Neurotoxicology Studies

Abstract

Neuroinformatics is an area of science that aims to integrate neuroscience data and develop modern computational tools to increase our understanding of the functions of the nervous system in health and disease. Neuroinformatics tools include, among others, databases for storing and sharing data, repositories for managing documents and source code, and software tools for analysing, modelling and simulating signals and images. This MiniReview aims to present the state of the art in neuroinformatics and computational in silico modelling of neurobiological processes and neuroscientific phenomena as well as to discuss the use of in silico models in neurotoxicology research. In silico modelling can be considered a new, complementary tool in chemical design to predict potential neurotoxicity and in neurotoxicity testing to help clarify initial hypothesis obtained in in vitro and in vivo. Validated in silico models can be used to identify pharmacological targets, to help bridge in vitro and in vivo studies and, ultimately, to develop safer chemicals and efficient therapeutic strategies.