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1.
Prediction of In Vivo Pharmacokinetic Parameters and Time-Exposure Curves in Rats Using Machine Learning from the Chemical Structure.
Mol Pharm
; 19(5): 1488-1504, 2022 05 02.
Artículo
en Inglés
| MEDLINE | ID: mdl-35412314
2.
Prediction of Fraction Unbound in Microsomal and Hepatocyte Incubations: A Comparison of Methods across Industry Datasets.
Mol Pharm
; 16(9): 4077-4085, 2019 09 03.
Artículo
en Inglés
| MEDLINE | ID: mdl-31348668
3.
In Vitro Intrinsic Permeability: A Transporter-Independent Measure of Caco-2 Cell Permeability in Drug Design and Development.
Mol Pharm
; 14(5): 1601-1609, 2017 05 01.
Artículo
en Inglés
| MEDLINE | ID: mdl-28329446
4.
Use of HµREL Human Coculture System for Prediction of Intrinsic Clearance and Metabolite Formation for Slowly Metabolized Compounds.
Mol Pharm
; 13(8): 2796-807, 2016 08 01.
Artículo
en Inglés
| MEDLINE | ID: mdl-27377099
5.
Time dependent analysis of assay comparability: a novel approach to understand intra- and inter-site variability over time.
J Comput Aided Mol Des
; 29(9): 795-807, 2015 Sep.
Artículo
en Inglés
| MEDLINE | ID: mdl-25697964
6.
Correction to "Prediction of Fraction Unbound in Microsomal and Hepatocyte Incubations: A Comparison of Methods across Industry Datasets".
Mol Pharm
; 16(11): 4755, 2019 Nov 04.
Artículo
en Inglés
| MEDLINE | ID: mdl-31596590
7.
Resolving the distribution-metabolism interplay of eight OATP substrates in the standard clearance assay with suspended human cryopreserved hepatocytes.
Mol Pharm
; 10(12): 4443-51, 2013 Dec 02.
Artículo
en Inglés
| MEDLINE | ID: mdl-24102095
8.
Improving the Accuracy of Predicted Human Pharmacokinetics: Lessons Learned from the AstraZeneca Drug Pipeline Over Two Decades.
Trends Pharmacol Sci
; 41(6): 390-408, 2020 06.
Artículo
en Inglés
| MEDLINE | ID: mdl-32359836
9.
Novel Chemical Series of 5-Lipoxygenase-Activating Protein Inhibitors for Treatment of Coronary Artery Disease.
J Med Chem
; 62(9): 4325-4349, 2019 05 09.
Artículo
en Inglés
| MEDLINE | ID: mdl-30929436
10.
Modeling of drug-transporter interactions using structural information.
Curr Opin Drug Discov Devel
; 11(1): 95-103, 2008 Jan.
Artículo
en Inglés
| MEDLINE | ID: mdl-18175272
11.
In Silico Absorption, Distribution, Metabolism, Excretion, and Pharmacokinetics (ADME-PK): Utility and Best Practices. An Industry Perspective from the International Consortium for Innovation through Quality in Pharmaceutical Development.
J Med Chem
; 60(22): 9097-9113, 2017 11 22.
Artículo
en Inglés
| MEDLINE | ID: mdl-28609624
12.
Presentation of a structurally diverse and commercially available drug data set for correlation and benchmarking studies.
J Med Chem
; 49(23): 6660-71, 2006 Nov 16.
Artículo
en Inglés
| MEDLINE | ID: mdl-17154497
13.
Modeling Organic Anion-Transporting Polypeptide 1B1 Inhibition to Elucidate Interaction Risks in Early Drug Design.
J Pharm Sci
; 105(10): 3214-3220, 2016 10.
Artículo
en Inglés
| MEDLINE | ID: mdl-27526968
14.
Exploring in silico prediction of the unbound brain-to-plasma drug concentration ratio: model validation, renewal, and interpretation.
J Pharm Sci
; 104(3): 1197-206, 2015 Mar.
Artículo
en Inglés
| MEDLINE | ID: mdl-25546343
15.
Discovery of AZD6642, an inhibitor of 5-lipoxygenase activating protein (FLAP) for the treatment of inflammatory diseases.
J Med Chem
; 58(2): 897-911, 2015 Jan 22.
Artículo
en Inglés
| MEDLINE | ID: mdl-25478788
16.
Hydrogen bonding descriptors in the prediction of human in vivo intestinal permeability.
J Mol Graph Model
; 21(4): 273-87, 2003 Jan.
Artículo
en Inglés
| MEDLINE | ID: mdl-12479927
17.
In silico prediction of unbound brain-to-plasma concentration ratio using machine learning algorithms.
J Mol Graph Model
; 29(8): 985-95, 2011 Aug.
Artículo
en Inglés
| MEDLINE | ID: mdl-21571561
18.
Structure-brain exposure relationships in rat and human using a novel data set of unbound drug concentrations in brain interstitial and cerebrospinal fluids.
J Med Chem
; 52(20): 6233-43, 2009 Oct 22.
Artículo
en Inglés
| MEDLINE | ID: mdl-19764786
19.
Tetrapeptides as potent protease inhibitors of Hepatitis C Virus full-length NS3 (protease-helicase/NTPase).
Bioorg Med Chem
; 10(12): 3915-22, 2002 Dec.
Artículo
en Inglés
| MEDLINE | ID: mdl-12413843
20.
Acyl sulfonamides as potent protease inhibitors of the hepatitis C virus full-Length NS3 (protease-helicase/NTPase): a comparative study of different C-terminals.
Bioorg Med Chem
; 11(12): 2551-68, 2003 Jun 12.
Artículo
en Inglés
| MEDLINE | ID: mdl-12757723
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