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Your search keyword '"Staffan Arvidsson McShane"' showing total 1 results
Start Over Author "Staffan Arvidsson McShane" Journal xenobiotica
1 results on '"Staffan Arvidsson McShane"'

1. In silico prediction of volume of distribution of drugs in man using conformal prediction performs on par with animal data-based models

Author

Urban Fagerholm, Sven Hellberg, Staffan Arvidsson McShane, Ola Spjuth, and Jonathan Alvarsson

Subjects
Pharmacology, Steady state (electronics), Health, Toxicology and Mutagenesis, In silico, Prediction interval, Conformal map, General Medicine, Toxicology, Biochemistry, Confidence interval, Animal data, Test set, Algorithm, Scaling, Mathematics
Abstract

Volume of distribution at steady state (Vss) is an important pharmacokinetic endpoint. In this study we apply machine learning and conformal prediction for human Vss prediction, and make a head-to-head comparison with rat-to-man scaling, allometric scaling and the Rodgers-Lukova method on combined in silico and in vitro data, using a test set of 105 compounds with experimentally observed Vss.The mean prediction error and % with

Published
2021
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