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In this paper, we discuss the validation of computer-based approaches for predicting the toxicity or efficacy of chemicals, a topic which has so far received little attention in the literature. We refer to these approaches generically as 'computational prediction techniques' (CPTs). A CPT could refer to any of the following: a) a (quantitative) structure-activity relationship; b) a prediction model (an algorithm for converting an in vitro test result into an in vivo one); c) a set of interacting equations, such as physiologically based biokinetic (PBBK) model; and d) an expert system, whose predictions are typically derived by applying both mathematical models and rules encapsulating existing knowledge and expert judgement. Specific criteria and general principles for the validation of CPTs are proposed.

Additional information

Authors: WORTH A, ECVAM Unit, EI, Ispra (IT);BARRATT M, School of Pharmacy and Chemistry, Manchester (GB);HOUSTON B, School of Pharmacy and Chemistry, Manchester (GB)
Bibliographic Reference: Article: Alternatives to Laboratory Animals, 26(1998), 241-247
Record Number: 199910695 / Last updated on: 1999-05-08
Original language: en
Available languages: en