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Chapter 13

Making Use of Reasoning: Derek for Windows

The DEREK program warned a user about the potential toxicity of a query structure on the grounds that it contained an alert – a substructural feature that toxicologists believe to interact with biological systems leading to toxicity by a particular mechanism. DEREK did not usually indicate how likel...
Print publication date: 23 Sep 2009
Copyright year: 2009
Print ISBN: 978-0-85404-160-2
PDF eISBN: 978-1-84755-980-7