uu.seUppsala University Publications
Change search
ReferencesLink to record
Permanent link

Direct link
Accessing, using, and creating chemical property databases for computational toxicology modeling
Uppsala University, Disciplinary Domain of Medicine and Pharmacy, Faculty of Pharmacy, Department of Pharmaceutical Biosciences.ORCID iD: 0000-0002-8083-2864
Uppsala University, Disciplinary Domain of Medicine and Pharmacy, Faculty of Pharmacy, Department of Pharmaceutical Biosciences.
2012 (English)In: Methods in molecular biology (Clifton, N.J.), ISSN 1940-6029, Vol. 929, 221-241 p.Article in journal (Refereed) Published
Abstract [en]

Toxicity data is expensive to generate, is increasingly seen as precompetitive, and is frequently used for the generation of computational models in a discipline known as computational toxicology. Repositories of chemical property data are valuable for supporting computational toxicologists by providing access to data regarding potential toxicity issues with compounds as well as for the purpose of building structure-toxicity relationships and associated prediction models. These relationships use mathematical, statistical, and modeling computational approaches and can be used to understand the mechanisms by which chemicals cause harm and, ultimately, enable prediction of adverse effects of these chemicals to human health and/or the environment. Such approaches are of value as they offer an opportunity to prioritize chemicals for testing. An increasing amount of data used by computational toxicologists is being published into the public domain and, in parallel, there is a greater availability of Open Source software for the generation of computational models. This chapter provides an overview of the types of data and software available and how these may be used to produce predictive toxicology models for the community.

Place, publisher, year, edition, pages
2012. Vol. 929, 221-241 p.
National Category
Bioinformatics and Systems Biology
Research subject
Bioinformatics; Toxicology
URN: urn:nbn:se:uu:diva-183847DOI: 10.1007/978-1-62703-050-2_10PubMedID: 23007432OAI: oai:DiVA.org:uu-183847DiVA: diva2:564768
Available from: 2012-11-04 Created: 2012-11-04 Last updated: 2015-05-04Bibliographically approved

Open Access in DiVA

No full text

Other links

Publisher's full textPubMedhttp://link.springer.com/protocol/10.1007/978-1-62703-050-2_10

Search in DiVA

By author/editor
Spjuth, Ola
By organisation
Department of Pharmaceutical Biosciences
Bioinformatics and Systems Biology

Search outside of DiVA

GoogleGoogle Scholar
The number of downloads is the sum of all downloads of full texts. It may include eg previous versions that are now no longer available

Altmetric score

Total: 277 hits
ReferencesLink to record
Permanent link

Direct link