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Published on: August 28, 2019
Prediction of the effect of formulation on the toxicity of chemicals
Pritesh Mistry1, Daniel Neagu1, Antonio Sanchez-Ruiz2
1Artificial Intelligence Research Group , Faculty of Engineering and Informatics , University of Bradford , Bradford , UK.
Abstract:
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.
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