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eNanoMapper: harnessing ontologies to enable data integration for nanomaterial risk assessment

TLDR
The eNanoMapper project as discussed by the authors is a pan-European computational infrastructure for toxicological data management for ENM, based on semantic web standards and ontologies, which is used for the development of the eNANOMAP ontology based on the existing ontologies of relevance for the nanosafety domain.
Abstract
Engineered nanomaterials (ENMs) are being developed to meet specific application needs in diverse domains across the engineering and biomedical sciences (e.g. drug delivery). However, accompanying the exciting proliferation of novel nanomaterials is a challenging race to understand and predict their possibly detrimental effects on human health and the environment. The eNanoMapper project (www.enanomapper.net) is creating a pan-European computational infrastructure for toxicological data management for ENMs, based on semantic web standards and ontologies. Here, we describe the development of the eNanoMapper ontology based on adopting and extending existing ontologies of relevance for the nanosafety domain. The resulting eNanoMapper ontology is available at http://purl.enanomapper.net/onto/enanomapper.owl. We aim to make the re-use of external ontology content seamless and thus we have developed a library to automate the extraction of subsets of ontology content and the assembly of the subsets into an integrated whole. The library is available (open source) at http://github.com/enanomapper/slimmer/. Finally, we give a comprehensive survey of the domain content and identify gap areas. ENM safety is at the boundary between engineering and the life sciences, and at the boundary between molecular granularity and bulk granularity. This creates challenges for the definition of key entities in the domain, which we also discuss.

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The environment ontology in 2016: bridging domains with increased scope, semantic density, and interoperation

TL;DR: ENVO has been shaped into an ontology which bridges multiple domains including biomedicine, natural and anthropogenic ecology, ‘omics, and socioeconomic development and is anticipate that ENVO’s growth will accelerate in 2017.
Journal ArticleDOI

ROBOT: A Tool for Automating Ontology Workflows.

TL;DR: ROBOT supports automation of a wide range of ontology development tasks, focusing on OBO conventions, and packages common high-level ontologyDevelopment functionality into a convenient library, and makes it easy to configure, combine, and execute individual tasks in comprehensive, automated workflows.
Journal ArticleDOI

The eNanoMapper database for nanomaterial safety information

TL;DR: It is demonstrated how the eNanoMapper database is used to import and publish online ENM and assay data from several data sources, how the “representational state transfer” (REST) API enables building user friendly interfaces and graphical summaries of the data, and how these resources facilitate the modelling of reproducible quantitative structure–activity relationships for nanomaterials (NanoQSAR).
Journal ArticleDOI

Towards reproducible computational drug discovery

TL;DR: This article provides an in-depth coverage on the reproducibility of computational drug discovery and explores the current state-of-the-art on reproducible research.
References
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Journal ArticleDOI

Gene Ontology: tool for the unification of biology

TL;DR: The goal of the Gene Ontology Consortium is to produce a dynamic, controlled vocabulary that can be applied to all eukaryotes even as knowledge of gene and protein roles in cells is accumulating and changing.
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Biomolecular coronas provide the biological identity of nanosized materials

TL;DR: The basic concept of the nanoparticle corona is reviewed and its structure and composition is highlighted, and how the properties of the corona may be linked to its biological impacts are highlighted.
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Physical−Chemical Aspects of Protein Corona: Relevance to in Vitro and in Vivo Biological Impacts of Nanoparticles

TL;DR: The hard corona can evolve quite significantly as one passes from protein concentrations appropriate to in vitro cell studies to those present in in vivo studies, which has deep implications for in vitro-in vivo extrapolations and will require some consideration in the future.
Journal ArticleDOI

Understanding and controlling the interaction of nanomaterials with proteins in a physiological environment

TL;DR: The formation of the protein corona, its structure and composition, and its influence on the physiological response are discussed, and an 'adsorbome' of 125 plasma proteins that are known to associate with nanomaterials are presented.
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