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Structure−Brain Exposure Relationships in Rat and Human Using a Novel Data Set of Unbound Drug Concentrations in Brain Interstitial and Cerebrospinal Fluids

Journal of medicinal chemistry, 2009-10, Vol.52 (20), p.6233-6243

2009

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Prediction of Fraction Unbound in Microsomal and Hepatocyte Incubations: A Comparison of Methods across Industry Datasets

Molecular pharmaceutics, 2019-09, Vol.16 (9), p.4077-4085

2019

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Exploring In Silico Prediction of the Unbound Brain-to-Plasma Drug Concentration Ratio: Model Validation, Renewal, and Interpretation

Journal of pharmaceutical sciences, 2015-03, Vol.104 (3), p.1197-1206

2015

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Discovery of AZD6642, an Inhibitor of 5‑Lipoxygenase Activating Protein (FLAP) for the Treatment of Inflammatory Diseases

Journal of medicinal chemistry, 2015-01, Vol.58 (2), p.897-911

2015

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P207 - Assessing the accuracy of predicted human pharmacokinetics for candidate drugs

Drug metabolism and pharmacokinetics, 2020, Vol.35 (1), p.S85-S85

2020

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In Vitro Intrinsic Permeability: A Transporter-Independent Measure of Caco‑2 Cell Permeability in Drug Design and Development

Molecular pharmaceutics, 2017-05, Vol.14 (5), p.1601-1609

2017

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Modeling Organic Anion-Transporting Polypeptide 1B1 Inhibition to Elucidate Interaction Risks in Early Drug Design

Journal of pharmaceutical sciences, 2016-10, Vol.105 (10), p.3214-3220

2016

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Acyl sulfonamides as potent protease inhibitors of the hepatitis C virus full-Length NS3 (Protease-Helicase/NTPase): A comparative study of different C-terminals

Bioorganic & medicinal chemistry, 2003-06, Vol.11 (12), p.2551-2568

2003

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Use of HμREL Human Coculture System for Prediction of Intrinsic Clearance and Metabolite Formation for Slowly Metabolized Compounds

Molecular pharmaceutics, 2016-08, Vol.13 (8), p.2796-2807

2016

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Improving the Accuracy of Predicted Human Pharmacokinetics: Lessons Learned from the AstraZeneca Drug Pipeline Over Two Decades

Trends in pharmacological sciences (Regular ed.), 2020-06, Vol.41 (6), p.390-408

2020

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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

Journal of medicinal chemistry, 2017-11, Vol.60 (22), p.9097-9113

2017

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Perspectives on the use of machine learning for ADME prediction at AstraZeneca

Xenobiotica, 2024-07, Vol.54 (7), p.368

2024

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Prediction of In Vivo Pharmacokinetic Parameters and Time–Exposure Curves in Rats Using Machine Learning from the Chemical Structure

Molecular pharmaceutics, 2022-05, Vol.19 (5), p.1488-1504

2022

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Correction to “Prediction of Fraction Unbound in Microsomal and Hepatocyte Incubations: A Comparison of Methods across Industry Datasets”

Molecular pharmaceutics, 2019-11, Vol.16 (11), p.4755-4755

2019

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Novel Chemical Series of 5‑Lipoxygenase-Activating Protein Inhibitors for Treatment of Coronary Artery Disease

Journal of medicinal chemistry, 2019-05, Vol.62 (9), p.4325-4349

2019

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In silico prediction of unbound brain-to-plasma concentration ratio using machine learning algorithms

Journal of molecular graphics & modelling, 2011-08, Vol.29 (8), p.985-995

2011

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Resolving the Distribution–Metabolism Interplay of Eight OATP Substrates in the Standard Clearance Assay with Suspended Human Cryopreserved Hepatocytes

Molecular pharmaceutics, 2013-12, Vol.10 (12), p.4443-4451

2013

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Time dependent analysis of assay comparability: a novel approach to understand intra- and inter-site variability over time

Journal of computer-aided molecular design, 2015-09, Vol.29 (9), p.795-807

2015

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Use of in silico models for compound property prediction to reduce the in vitro screening burden

Toxicology letters, 2017-10, Vol.280, p.S285-S285

2017

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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: Miniperspective

Journal of medicinal chemistry, 2017-11, Vol.60 (22), p.9097-9113

2017

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In silico ADME in drug design – enhancing the impact

ADMET & DMPK, 2018-03, Vol.6 (1), p.15-33

2018

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Correlation of Human Jejunal Permeability (in Vivo) of Drugs with Experimentally and Theoretically Derived Parameters. A Multivariate Data Analysis Approach

Journal of medicinal chemistry, 1998-12, Vol.41 (25), p.4939-4949

1998

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Presentation of a Structurally Diverse and Commercially Available Drug Data Set for Correlation and Benchmarking Studies

Journal of medicinal chemistry, 2006-11, Vol.49 (23), p.6660-6671

2006

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Hydrogen bonding descriptors in the prediction of human in vivo intestinal permeability

Journal of molecular graphics & modelling, 2003, Vol.21 (4), p.273-287

2003

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SPR Biosensor Studies of the Direct Interaction between 27 Drugs and a Liposome Surface: Correlation with Fraction Absorbed in Humans

Journal of medicinal chemistry, 2000-06, Vol.43 (11), p.2083-2086

2000

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Structure−Brain Exposure Relationships in Rat and Human Using a Novel Data Set of Unbound Drug Concentrations in Brain Interstitial and Cerebrospinal Fluids

Prediction of Fraction Unbound in Microsomal and Hepatocyte Incubations: A Comparison of Methods across Industry Datasets

Exploring In Silico Prediction of the Unbound Brain-to-Plasma Drug Concentration Ratio: Model Validation, Renewal, and Interpretation

Discovery of AZD6642, an Inhibitor of 5‑Lipoxygenase Activating Protein (FLAP) for the Treatment of Inflammatory Diseases

P207 - Assessing the accuracy of predicted human pharmacokinetics for candidate drugs

In Vitro Intrinsic Permeability: A Transporter-Independent Measure of Caco‑2 Cell Permeability in Drug Design and Development

Modeling Organic Anion-Transporting Polypeptide 1B1 Inhibition to Elucidate Interaction Risks in Early Drug Design

Acyl sulfonamides as potent protease inhibitors of the hepatitis C virus full-Length NS3 (Protease-Helicase/NTPase): A comparative study of different C-terminals

Use of HμREL Human Coculture System for Prediction of Intrinsic Clearance and Metabolite Formation for Slowly Metabolized Compounds

Improving the Accuracy of Predicted Human Pharmacokinetics: Lessons Learned from the AstraZeneca Drug Pipeline Over Two Decades

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

Perspectives on the use of machine learning for ADME prediction at AstraZeneca

Prediction of In Vivo Pharmacokinetic Parameters and Time–Exposure Curves in Rats Using Machine Learning from the Chemical Structure

Correction to “Prediction of Fraction Unbound in Microsomal and Hepatocyte Incubations: A Comparison of Methods across Industry Datasets”

Novel Chemical Series of 5‑Lipoxygenase-Activating Protein Inhibitors for Treatment of Coronary Artery Disease

In silico prediction of unbound brain-to-plasma concentration ratio using machine learning algorithms

Resolving the Distribution–Metabolism Interplay of Eight OATP Substrates in the Standard Clearance Assay with Suspended Human Cryopreserved Hepatocytes

Time dependent analysis of assay comparability: a novel approach to understand intra- and inter-site variability over time

Use of in silico models for compound property prediction to reduce the in vitro screening burden

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: Miniperspective

In silico ADME in drug design – enhancing the impact

Correlation of Human Jejunal Permeability (in Vivo) of Drugs with Experimentally and Theoretically Derived Parameters. A Multivariate Data Analysis Approach

Presentation of a Structurally Diverse and Commercially Available Drug Data Set for Correlation and Benchmarking Studies

Hydrogen bonding descriptors in the prediction of human in vivo intestinal permeability

SPR Biosensor Studies of the Direct Interaction between 27 Drugs and a Liposome Surface: Correlation with Fraction Absorbed in Humans

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