Updated <i>in silico</i> prediction methods for fractions absorbed and absorption rate constants of 372 disparate chemicals for use in physiologically based pharmacokinetic models for estimating internal concentrations in rats

Author:

Adachi Koichiro1,Shimizu Makiko1,Yamazaki Hiroshi1

Affiliation:

1. Showa Pharmaceutical University

Publisher

Japanese Society of Toxicology

Subject

Toxicology

Reference9 articles.

1. Cook, C., Albrecht, L., Cary, G., Edwards, B., Haggard, D., Hanley, N., Hughes, M.F., Jarnagin, A., Kodavanti, T.D., Koral-Bexell, E., Kreutz, A., Ngo, M., Ring, C., Sayre, R., Sharma, B., Wall, J., Yamazaki, H. and Wambaugh, J. (2022): EPA’s “Concentration versus Time Database”: A resource for extrapolating toxicokinetic parameters across chemicals. In: SOT 61st Annual Meeting), San Diego.

2. Kamiya, Y., Handa, K., Miura, T., Ohori, J., Shimizu, M., Kitajima, M., Shono, F., Funatsu, K. and Yamazaki, H. (2021a): An Updated In Silico Prediction Method for Volumes of Systemic Circulation of 323 Disparate Chemicals for Use in Physiologically Based Pharmacokinetic Models to Estimate Plasma and Tissue Concentrations after Oral Doses in Rats. Chem. Res. Toxicol., 34, 2180-2183.

3. Kamiya, Y., Handa, K., Miura, T., Yanagi, M., Shigeta, K., Hina, S., Shimizu, M., Kitajima, M., Shono, F., Funatsu, K. and Yamazaki, H. (2021b): In Silico Prediction of Input Parameters for Simplified Physiologically Based Pharmacokinetic Models for Estimating Plasma, Liver, and Kidney Exposures in Rats after Oral Doses of 246 Disparate Chemicals. Chem. Res. Toxicol., 34, 507-513.

4. Kamiya, Y., Omura, A., Hayasaka, R., Saito, R., Sano, I., Handa, K., Ohori, J., Kitajima, M., Shono, F., Funatsu, K. and Yamazaki, H. (2021c): Prediction of permeability across intestinal cell monolayers for 219 disparate chemicals using in vitro experimental coefficients in a pH gradient system and in silico analyses by trivariate linear regressions and machine learning. Biochem. Pharmacol., 192, 114749.

5. Kamiya, Y., Otsuka, S., Miura, T., Takaku, H., Yamada, R., Nakazato, M., Nakamura, H., Mizuno, S., Shono, F., Funatsu, K. and Yamazaki, H. (2019): Plasma and Hepatic Concentrations of Chemicals after Virtual Oral Administrations Extrapolated Using Rat Plasma Data and Simple Physiologically Based Pharmacokinetic Models. Chem. Res. Toxicol., 32, 211-218.

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