QSAR studies using the parashift system

Livingstone DJ, Clark T, Ford MG, Hudson BD, Whitley DC (2008)

Publication Status: Published

Publication Type: Journal article

Publication year: 2008

Journal

Sar and Qsar in Environmental Research Taylor & Francis: STM, Behavioural Science and Public Health Titles / Taylor & Francis

Publisher: Taylor & Francis: STM, Behavioural Science and Public Health Titles / Taylor & Francis

Book Volume: 19

Pages Range: 285-302

Journal Issue: 3-4

DOI: 10.1080/10629360802085041

Abstract

A novel way of describing molecules in terms of their surfaces and local properties at the surfaces is described. The use of these surfaces and properties to explain chemical reactivity and model simple molecular properties has already been demonstrated. This study reports an examination of the use of these descriptions of molecules to model a simple chemical interaction (complex formation) and a diverse set of mutagens. Both of these systems have been modelled successfully and the results are discussed.

Authors with CRIS profile

Timothy Clark Computer-Chemie-Centrum (CCC)

Involved external institutions

ChemQuest Ltd. GB United Kingdom (GB) University of Portsmouth GB United Kingdom (GB)

How to cite

APA:

Livingstone, D.J., Clark, T., Ford, M.G., Hudson, B.D., & Whitley, D.C. (2008). QSAR studies using the parashift system. Sar and Qsar in Environmental Research, 19(3-4), 285-302. https://doi.org/10.1080/10629360802085041

MLA:

Livingstone, D. J., et al. "QSAR studies using the parashift system." Sar and Qsar in Environmental Research 19.3-4 (2008): 285-302.

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