Watanabe R - Search Results

1

A public-private partnership to enrich the development of in silico predictive models for pharmacokinetic and cardiotoxic properties.

Komura H, Watanabe R, Kawashima H, Ohashi R, Kuroda M, Sato T, Honma T, Mizuguchi K. Komura H, et al. Among authors: watanabe r. Drug Discov Today. 2021 May;26(5):1275-1283. doi: 10.1016/j.drudis.2021.01.024. Epub 2021 Jan 28. Drug Discov Today. 2021. PMID: 33516857 Free article. Review.

2

Data Curation can Improve the Prediction Accuracy of Metabolic Intrinsic Clearance.

Esaki T, Watanabe R, Kawashima H, Ohashi R, Natsume-Kitatani Y, Nagao C, Mizuguchi K. Esaki T, et al. Among authors: watanabe r. Mol Inform. 2019 Jan;38(1-2):e1800086. doi: 10.1002/minf.201800086. Epub 2018 Sep 24. Mol Inform. 2019. PMID: 30247811 Free PMC article.

3

Predicting Fraction Unbound in Human Plasma from Chemical Structure: Improved Accuracy in the Low Value Ranges.

Watanabe R, Esaki T, Kawashima H, Natsume-Kitatani Y, Nagao C, Ohashi R, Mizuguchi K. Watanabe R, et al. Mol Pharm. 2018 Nov 5;15(11):5302-5311. doi: 10.1021/acs.molpharmaceut.8b00785. Epub 2018 Sep 27. Mol Pharm. 2018. PMID: 30259749 Free article.

4

Development of Simplified in Vitro P-Glycoprotein Substrate Assay and in Silico Prediction Models To Evaluate Transport Potential of P-Glycoprotein.

Ohashi R, Watanabe R, Esaki T, Taniguchi T, Torimoto-Katori N, Watanabe T, Ogasawara Y, Takahashi T, Tsukimoto M, Mizuguchi K. Ohashi R, et al. Among authors: watanabe t, watanabe r. Mol Pharm. 2019 May 6;16(5):1851-1863. doi: 10.1021/acs.molpharmaceut.8b01143. Epub 2019 Apr 16. Mol Pharm. 2019. PMID: 30933526 Free article.

5

Computational Model To Predict the Fraction of Unbound Drug in the Brain.

Esaki T, Ohashi R, Watanabe R, Natsume-Kitatani Y, Kawashima H, Nagao C, Mizuguchi K. Esaki T, et al. Among authors: watanabe r. J Chem Inf Model. 2019 Jul 22;59(7):3251-3261. doi: 10.1021/acs.jcim.9b00180. Epub 2019 Jul 11. J Chem Inf Model. 2019. PMID: 31260629

6

Constructing an In Silico Three-Class Predictor of Human Intestinal Absorption With Caco-2 Permeability and Dried-DMSO Solubility.

Esaki T, Ohashi R, Watanabe R, Natsume-Kitatani Y, Kawashima H, Nagao C, Komura H, Mizuguchi K. Esaki T, et al. Among authors: watanabe r. J Pharm Sci. 2019 Nov;108(11):3630-3639. doi: 10.1016/j.xphs.2019.07.014. Epub 2019 Jul 25. J Pharm Sci. 2019. PMID: 31351866

7

Development of an in silico prediction system of human renal excretion and clearance from chemical structure information incorporating fraction unbound in plasma as a descriptor.

Watanabe R, Ohashi R, Esaki T, Kawashima H, Natsume-Kitatani Y, Nagao C, Mizuguchi K. Watanabe R, et al. Sci Rep. 2019 Dec 11;9(1):18782. doi: 10.1038/s41598-019-55325-1. Sci Rep. 2019. PMID: 31827176 Free PMC article.

8

Development of an In Silico Prediction Model for P-glycoprotein Efflux Potential in Brain Capillary Endothelial Cells toward the Prediction of Brain Penetration.

Watanabe R, Esaki T, Ohashi R, Kuroda M, Kawashima H, Komura H, Natsume-Kitatani Y, Mizuguchi K. Watanabe R, et al. J Med Chem. 2021 Mar 11;64(5):2725-2738. doi: 10.1021/acs.jmedchem.0c02011. Epub 2021 Feb 23. J Med Chem. 2021. PMID: 33619967 Free article.

9

Utilizing public and private sector data to build better machine learning models for the prediction of pharmacokinetic parameters.

Kuroda M, Watanabe R, Esaki T, Kawashima H, Ohashi R, Sato T, Honma T, Komura H, Mizuguchi K. Kuroda M, et al. Among authors: watanabe r. Drug Discov Today. 2022 Nov;27(11):103339. doi: 10.1016/j.drudis.2022.103339. Epub 2022 Aug 13. Drug Discov Today. 2022. PMID: 35973660 Free article.

10

Prediction of the Contribution Ratio of a Target Metabolic Enzyme to Clearance from Chemical Structure Information.

Watanabe R, Kawata T, Ueda S, Shinbo T, Higashimori M, Natsume-Kitatani Y, Mizuguchi K. Watanabe R, et al. Mol Pharm. 2023 Jan 2;20(1):419-426. doi: 10.1021/acs.molpharmaceut.2c00698. Epub 2022 Dec 20. Mol Pharm. 2023. PMID: 36538346 Free PMC article.

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