Prediction of the effect of formulation on the toxicity of chemicals

Autor: Mistry, Pritesh, Neagu, Daniel, Sanchez-Ruiz, A., Trundle, Paul R., Vessey, J.D., Gosling, J.P.
Jazyk: angličtina
Rok vydání: 2017
Předmět:
Druh dokumentu: Článek
DOI: 10.1039/C6TX00303F
Popis: 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.
Databáze: Networked Digital Library of Theses & Dissertations