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Application of In Silico, In Vitro and Preclinical Pharmacokinetic Data for the Effective and Efficient Prediction of Human Pharmacokinetics

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Outgoing claims: the papers this work cites, builds on, or argues with.

inferredcites →https://doi.org/10.1002/(sici)1098-1128(199605)16:3<243::aid-med2>3.0.co;2-zopenalex-snapshot

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inferredcites →https://doi.org/10.1002/bdd.1761openalex-snapshot

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inferredcites →https://doi.org/10.1002/bdd.1782openalex-snapshot

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Interspecies Scaling of Biliary Excreted Drugs: A Comparison of Several Methods**The views expressed in this article are those of the author and do not reflect the official policy of the FDA. No official support or endorsement by the FDA is intended or should be inferred.

inferredcites →https://doi.org/10.1002/jps.22073openalex-snapshot

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inferredcites →https://doi.org/10.1002/jps.22553openalex-snapshot

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inferredcites →https://doi.org/10.1002/minf.201000160openalex-snapshot

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inferredcites →https://doi.org/10.1007/bf01061720openalex-snapshot

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Clinical pharmacokinetics; concepts and applications

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Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings

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Anatomical and physiological parameters affecting gastrointestinal absorption in humans and rats

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QSAR Modeling Using Automatically Updating Correction Libraries: Application to a Human Plasma Protein Binding Model

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In Silico Prediction of Aqueous Solubility: The Solubility Challenge

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A Provisional Biopharmaceutical Classification of the Top 200 Oral Drug Products in the United States, Great Britain, Spain, and Japan

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Uptake Is the Rate-limiting Step in the Overall Hepatic Elimination of Pravastatin at Steady-state in Rats

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Comparison of Human Duodenum and Caco-2 Gene Expression Profiles for 12,000 Gene Sequences Tags and Correlation with Permeability of 26 Drugs

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Pharmaceutical innovation by the seven UK‐owned pharmaceutical companies (1964‐1985).

inferredcites →https://doi.org/10.1111/j.1749-6632.1996.tb17436.xopenalex-snapshot

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inferred← citeshttps://doi.org/10.1016/j.ejps.2017.02.017openalex-snapshot

How to identify and eliminate compounds with a risk of high clinical dose during the early phase of lead optimisation in drug discovery

inferred← citeshttps://doi.org/10.1016/j.envint.2021.106748openalex-snapshot

An integrated exposure and pharmacokinetic modeling framework for assessing population-scale risks of phthalates and their substitutes

inferred← citeshttps://doi.org/10.1016/j.jconrel.2013.10.030openalex-snapshot

Dissolution methodology for taste masked oral dosage forms

inferred← citeshttps://doi.org/10.1016/j.namjnl.2026.100139openalex-snapshot

Assessing in vitro long-term liver metabolism models to characterize intrinsic clearance determination in NGRAs

inferred← citeshttps://doi.org/10.1016/j.tips.2020.03.004openalex-snapshot

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

inferred← citeshttps://doi.org/10.1016/j.xphs.2021.12.004openalex-snapshot

Possible Extraction of Drugs from Lung Tissue During Broncho-alveolar Lavage Suggest Uncertainty in the Procedure's Utility for Quantitative Assessment of Airway Drug Exposure

inferred← citeshttps://doi.org/10.1021/acs.chemrestox.8b00044openalex-snapshot

Impact of Physicochemical Properties on Dose and Hepatotoxicity of Oral Drugs

inferred← citeshttps://doi.org/10.1021/acs.jmedchem.0c02033openalex-snapshot

Model-based Target Pharmacology Assessment (mTPA): An Approach Using PBPK/PD Modeling and Machine Learning to Design Medicinal Chemistry and DMPK Strategies in Early Drug Discovery

inferred← citeshttps://doi.org/10.1021/acs.jmedchem.1c01197openalex-snapshot

AZD0284, a Potent, Selective, and Orally Bioavailable Inverse Agonist of Retinoic Acid Receptor-Related Orphan Receptor C2

inferred← citeshttps://doi.org/10.1021/acs.jmedchem.1c01683openalex-snapshot

Active Learning for Drug Design: A Case Study on the Plasma Exposure of Orally Administered Drugs

inferred← citeshttps://doi.org/10.1021/acs.jmedchem.4c01154openalex-snapshot

2,8-Disubstituted-1,5-naphthyridines as Dual Inhibitors of Plasmodium falciparum Phosphatidylinositol-4-kinase and Hemozoin Formation with In Vivo Efficacy

inferred← citeshttps://doi.org/10.1021/acs.jmedchem.8b00180openalex-snapshot

Mapping the Efficiency and Physicochemical Trajectories of Successful Optimizations

inferred← citeshttps://doi.org/10.1021/acs.molpharmaceut.5b00840openalex-snapshot

Validation of Early Human Dose Prediction: A Key Metric for Compound Progression in Drug Discovery

inferred← citeshttps://doi.org/10.1021/acsmedchemlett.7b00315openalex-snapshot

Discovery of AZD-2098 and AZD-1678, Two Potent and Bioavailable CCR4 Receptor Antagonists

inferred← citeshttps://doi.org/10.1021/acsomega.1c03689openalex-snapshot

Prediction Model of Clearance by a Novel Quantitative Structure–Activity Relationship Approach, Combination DeepSnap-Deep Learning and Conventional Machine Learning

inferred← citeshttps://doi.org/10.1021/acsomega.2c00261openalex-snapshot

Novel QSAR Approach for a Regression Model of Clearance That Combines DeepSnap-Deep Learning and Conventional Machine Learning

inferred← citeshttps://doi.org/10.1021/ci400692nopenalex-snapshot

Calculation of Aqueous Solubility of Crystalline Un-Ionized Organic Chemicals and Drugs Based on Structural Similarity and Physicochemical Descriptors

inferred← citeshttps://doi.org/10.1038/nrd.2017.244openalex-snapshot

Impact of a five-dimensional framework on R&D productivity at AstraZeneca

inferred← citeshttps://doi.org/10.1039/9781788018982-00298openalex-snapshot

ADME Optimization in Drug Discovery

inferred← citeshttps://doi.org/10.1039/c5md00583copenalex-snapshot

Profiling the estimated plasma concentrations of 215 marketed oral drugs

inferred← citeshttps://doi.org/10.1039/c6md00362aopenalex-snapshot

Oral drug-likeness criteria in preclinical species

inferred← citeshttps://doi.org/10.1039/c6md00706fopenalex-snapshot

Designing safer oral drugs

inferred← citeshttps://doi.org/10.1080/00498254.2022.2115425openalex-snapshot

Characterisation of intravenous pharmacokinetics in Göttingen minipig and clearance prediction using established in vitro to in vivo extrapolation methodologies

inferred← citeshttps://doi.org/10.1080/00498254.2022.2132426openalex-snapshot

Non-specific binding of compounds in in vitro metabolism assays: a comparison of microsomal and hepatocyte binding in different species and an assessment of the accuracy of prediction models

inferred← citeshttps://doi.org/10.1080/00498254.2023.2169207openalex-snapshot

Human pharmacokinetics prediction with an in vitro–in vivo correction factor approach and in vitro drug-drug interaction profile of bictegravir, a potent integrase-strand transfer inhibitor component in approved biktarvy® for the treatment of HIV-1 infection

inferred← citeshttps://doi.org/10.1080/03602532.2021.1922435openalex-snapshot

Recent developments in in vitro and in vivo models for improved translation of preclinical pharmacokinetics and pharmacodynamics data

inferred← citeshttps://doi.org/10.1080/1062936x.2017.1368704openalex-snapshot

Six global and local QSPR models of aqueous solubility at pH = 7.4 based on structural similarity and physicochemical descriptors

inferred← citeshttps://doi.org/10.1080/17460441.2019.1660642openalex-snapshot

Estimating human ADME properties, pharmacokinetic parameters and likely clinical dose in drug discovery

inferred← citeshttps://doi.org/10.1080/17460441.2021.1961741openalex-snapshot

An update on the importance of plasma protein binding in drug discovery and development

inferred← citeshttps://doi.org/10.1124/dmd.115.067769openalex-snapshot

Determination of Human Hepatocyte Intrinsic Clearance for Slowly Metabolized Compounds: Comparison of a Primary Hepatocyte/Stromal Cell Co-culture with Plated Primary Hepatocytes and HepaRG

inferred← citeshttps://doi.org/10.1124/dmd.116.074138openalex-snapshot

Intrinsic Clearance Assay Incubational Binding: A Method Comparison

inferred← citeshttps://doi.org/10.1124/dmd.117.077396openalex-snapshot

An Investigation into the Prediction of In Vivo Clearance for a Range of Flavin-containing Monooxygenase Substrates

inferred← citeshttps://doi.org/10.1124/dmd.118.081596openalex-snapshot

Development and Characterization of a Human Hepatocyte Low Intrinsic Clearance Assay for Use in Drug Discovery

inferred← citeshttps://doi.org/10.1124/dmd.119.087163openalex-snapshot

Plasma Protein Binding as an Optimizable Parameter for Acidic Drugs

inferred← citeshttps://doi.org/10.1186/s12936-026-05837-9openalex-snapshot

Integrative preclinical strategy for pharmacokinetic profiling and candidate selection of 3-hydroxypropanamidines: a promising antimalarial class

inferred← citeshttps://doi.org/10.1208/s12248-016-0019-7openalex-snapshot

Metabolic Profiling of Human Long-Term Liver Models and Hepatic Clearance Predictions from In Vitro Data Using Nonlinear Mixed-Effects Modeling

inferred← citeshttps://doi.org/10.1208/s12248-016-9889-yopenalex-snapshot

Gut Wall Metabolism. Application of Pre-Clinical Models for the Prediction of Human Drug Absorption and First-Pass Elimination

inferred← citeshttps://doi.org/10.17161/iallt.v33i1.8317openalex-snapshot

Evaluating the Antiobesity Potential of Hesperidin and Resveratrol: Analysis of Pancreatic Lipase Inhibition, Molecular Docking Insights, and Pharmacokinetic Profiles

inferred← citeshttps://doi.org/10.2147/dddt.s75886openalex-snapshot

Pharmacoinformatics approach for investigation of alternative potential hepatitis C virus nonstructural protein 5B inhibitors

inferred← citeshttps://doi.org/10.2174/1389200221666200312104837openalex-snapshot

Further Considerations Towards an Effective and Efficient Oncology Drug Discovery DMPK Strategy

inferred← citeshttps://doi.org/10.33448/rsd-v11i10.32756openalex-snapshot

Screening in vitro e in silico de amidas contra as formas sexuadas do Plasmodium falciparum

inferred← citeshttps://doi.org/10.3390/futurepharmacol5040071openalex-snapshot

Antibacterial Mechanisms of 4-Chlorobenzyl p-Coumarate: Inhibition of MepA and NorA Efflux Pumps

inferred← citeshttps://doi.org/10.3390/molecules28166011openalex-snapshot

Virtual Screening of Different Subclasses of Lignans with Anticancer Potential and Based on Genetic Profile

inferred← citeshttps://doi.org/10.3390/pharmaceutics7040554openalex-snapshot

Montelukast Disposition: No Indication of Transporter-Mediated Uptake in OATP2B1 and OATP1B1 Expressing HEK293 Cells

inferred← citeshttps://doi.org/10.5599/admet.2961openalex-snapshot

Elucidating CYP2D6-driven metabolism and hepatotoxic bioactivation of metoprolol in plateable human and animal hepatocytes

inferred← citeshttps://doi.org/10.5772/intechopen.94052openalex-snapshot

Small Molecules Inhibit Extranuclear Signaling by Estrogen: A Promising Strategy to Halt Breast Cancer Progression and Metastasis

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