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Prediction of the effect of formulation on the toxicity of chemicals

Yes / Two approaches for the prediction of which of two vehicles will result in lower toxicity for anticancer agents are presented. Machine-learning models are developed using decision tree, random forest and partial least squares methodologies and statistical evidence is presented to demonstrate that they represent valid models. Separately, a clustering method is presented that allows the ordering of vehicles by the toxicity they show for chemically-related compounds.

Identiferoai:union.ndltd.org:BRADFORD/oai:bradscholars.brad.ac.uk:10454/10169
Date31 October 2016
CreatorsMistry, Pritesh, Neagu, Daniel, Sanchez-Ruiz, A., Trundle, Paul R., Vessey, J.D., Gosling, J.P.
Source SetsBradford Scholars
LanguageEnglish
Detected LanguageEnglish
TypeArticle, Accepted manuscript
Rights© 2016 The Authors. This is an Open Access article licensed under the Creative Commons CC-BY license (http://creativecommons.org/licenses/by/3.0/), CC-BY

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