What is it about?
This chapter discusses databases that can be used for toxicology and their used in computational modeling. The chapter provides an overview of data types and software available.
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Why is it important?
Databases of chemical property information are useful to those involved in computational toxicology modeling for building predictive models. We proposed the development of a focused ADME/Tox database.
Perspectives
We discuss open tools like Bioclipse, prediction of metabolic sites, standardizing QSAR and the benefits of moving away from commercial tools for ADME/Tox.
Dr Sean Ekins
Collaborations in Chemistry
Read the Original
This page is a summary of: Accessing, Using, and Creating Chemical Property Databases for Computational Toxicology Modeling, January 2012, Springer Science + Business Media,
DOI: 10.1007/978-1-62703-050-2_10.
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