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Ensuring confidence in predictions: A scheme to assess the scientific validity of in silico models

Hewitt, M, Ellison, CM, Cronin, MTD, Madden, JC, Pastor, M, Steger-Hartmann, T, Munoz-Muriendas, J and Pognan, F (2015) Ensuring confidence in predictions: A scheme to assess the scientific validity of in silico models. Advanced Drug Delivery Reviews, 86. pp. 101-111. ISSN 0169-409X

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The use of in silico tools within the drug development process to predict a wide range of properties including absorption, distribution, metabolism, elimination and toxicity has become increasingly important due to changes in legislation and both ethical and economic drivers to reduce animal testing. Whilst in silico tools have been used for decades there remains reluctance to accept predictions based on these methods particularly in regulatory settings. This apprehension arises in part due to lack of confidence in the reliability, robustness and applicability of the models. To address this issue we propose a scheme for the verification of in silico models that enables end users and modellers to assess the scientific validity of models in accordance with the principles of good computer modelling practice. We report here the implementation of the scheme within the Innovative Medicines Initiative project "eTOX" (electronic toxicity) and its application to the in silico models developed within the frame of this project.

Item Type: Article
Uncontrolled Keywords: 1115 Pharmacology And Pharmaceutical Sciences
Subjects: R Medicine > RS Pharmacy and materia medica
Divisions: Pharmacy & Biomolecular Sciences
Publisher: Elsevier
Date Deposited: 29 Mar 2016 08:33
Last Modified: 04 Sep 2021 13:07
DOI or Identification number: 10.1016/j.addr.2015.03.005
URI: https://researchonline.ljmu.ac.uk/id/eprint/3329

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