An Evaluation of the Utility of Physiologically Based Models of Pharmacokinetics in Early Drug Discovery

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Prediction of Pharmacokinetics Prior to In Vivo Studies. II. Generic Physiologically Based Pharmacokinetic Models of Drug Disposition

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Whole Body Pharmacokinetic Models

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Transporters involved in the elimination of drugs in the kidney: organic anion transporters and organic cation transporters.

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Biorelevant Dissolution Testing to Predict the Plasma Profile of Lipophilic Drugs After Oral Administration

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Utility of physiologically based pharmacokinetic models to drug development and rational drug discovery candidate selection

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Accuracy of calculated pH-dependent aqueous drug solubility

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Prediction of intestinal absorption: comparative assessment of gastroplus™ and idea™

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Physiologically-based pharmacokinetic simulation modelling

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In silico prediction of ADME and pharmacokinetics

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Physiologically based pharmacokinetic study on a cyclosporin derivative, SDZ IMM 125

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Physiologically based pharmacokinetics in Drug Development and Regulatory Science: A workshop report (Georgetown University, Washington, DC, May 29–30, 2002)

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Advances in screening for membrane permeability: high-resolution PAMPA for medicinal chemists

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In silico prediction of aqueous solubility, human plasma protein binding and volume of distribution of compounds from calculated pKa and AlogP98 values

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Prediction of Hepatic Metabolic Clearance: Comparison and Assessment of Prediction Models

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Physiologically Based Pharmacokinetics in Drug Development and Regulatory Science: A workshop report.

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Phosphatidylserine as a Determinant for the Tissue Distribution of Weakly Basic Drugs in Rats

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Use of a Biophysical-Kinetic Model to Understand the Roles of Protein Binding and Membrane Partitioning on Passive Diffusion of Highly Lipophilic Molecules Across Cellular Barriers

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Increased Lipophilicity and Subsequent Cell Partitioning Decrease Passive Transcellular Diffusion of Novel, Highly Lipophilic Antioxidants

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PKQuest: a general physiologically based pharmacokinetic model. Introduction and application to propranolol

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Determination of Volume of Distribution at Steady State with Complete Consideration of the Kinetics of Protein and Tissue Binding in Linear Pharmacokinetics

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Tissue distribution of fentanyl and alfentanil in the rat cannot be described by a blood flow limited model

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Anatomical and physiological differences betweenvarious species used in studies on the pharmacokinetics and toxicology of xenobiotics. A review ofliterature

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Physiology-based pharmacokinetic modeling: ready to be used

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Physiology-based pharmacokinetic modeling: ready to be used

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Mechanism for the Tissue Distribution of Grepafloxacin, a Fluoroquinolone Antibiotic, in Rats

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PKQuest: capillary permeability limitation and plasma protein binding – application to human inulin, dicloxacillin and ceftriaxone pharmacokinetics

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Drug discovery information integration: virtual humans for pharmacokinetics

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Physiologically based pharmacokinetic models: mathematical fundamentals and simulation implementations

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Untitled work

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Physiologically based pharmacokinetic modeling in drug discovery and development: A pharmaceutical industry perspective

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Prediction of Drug-Drug Interactions with Bupropion and Its Metabolites as CYP2D6 Inhibitors Using a Physiologically-Based Pharmacokinetic Model

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Prediction of human pharmacokinetics using physiologically based modeling: a retrospective analysis of 26 clinically tested drugs

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Modelling and PBPK Simulation in Drug Discovery

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The road map to oral bioavailability: an industrial perspective

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New Insights into Toxicity and Drug Testing

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Structure – ADME relationship: still a long way to go?

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Physiologically Based Pharmacokinetic Modelling for First-In-Human Predictions: An Updated Model Building Strategy Illustrated with Challenging Industry Case Studies

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Scaling Pharmacodynamics from In Vitro and Preclinical Animal Studies to Humans

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Physiologically based pharmacokinetics (PBPK)

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Prediction of Biliary Excretion in Rats and Humans Using Molecular Weight and Quantitative Structure–Pharmacokinetic Relationships

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Applications of Physiologically Based Absorption Models in Drug Discovery and Development

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Challenges and opportunities with modelling and simulation in drug discovery and drug development

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Simulation of Human Intravenous and Oral Pharmacokinetics of 21 Diverse Compounds Using Physiologically Based Pharmacokinetic Modelling

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Pharmacokinetics in Drug Discovery: An Exposure-Centred Approach to Optimising and Predicting Drug Efficacy and Safety

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Application of PBPK modelling in drug discovery and development at Pfizer

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The Prediction of Drug Metabolism, Tissue Distribution, and Bioavailability of 50 Structurally Diverse Compounds in Rat Using Mechanism-Based Absorption, Distribution, and Metabolism Prediction Tools

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Quantitative structure–pharmacokinetic/pharmacodynamic relationships

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Prediction of pharmacokinetic profile of valsartan in human based on in vitro uptake transport data

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Methodology of oral formulation selection in the pharmaceutical industry

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Prediction of the human oral bioavailability by using in vitro and in silico drug related parameters in a physiologically based absorption model

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Use of biorelevant dissolution and PBPK modeling to predict oral drug absorption

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Application of PBPK modeling to predict human intestinal metabolism of CYP3A substrates – An evaluation and case study using GastroPlus™

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A pH-Dilution Method for Estimation of Biorelevant Drug Solubility along the Gastrointestinal Tract: Application to Physiologically Based Pharmacokinetic Modeling

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Physiologically-based Kinetic Modelling (PBK Modelling): Meeting the 3Rs Agenda

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Biotechnology: Pharmaceutical Aspects

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Simulation of the pharmacokinetics of bisoprolol in healthy adults and patients with impaired renal function using whole-body physiologically based pharmacokinetic modeling

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Evaluation of the GastroPlus™ Advanced Compartmental and Transit (ACAT) Model in Early Discovery

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Predicting Pharmacokinetic Profiles Using <i>in Silico</i> Derived Parameters

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Computational modeling of human oral bioavailability: what will be next?

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Mechanistic Modeling of Hepatic Transport from Cells to Whole Body: Application to Napsagatran and Fexofenadine

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Evaluation of the Success of High-Throughput Physiologically Based Pharmacokinetic (HT-PBPK) Modeling Predictions to Inform Early Drug Discovery

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A Physiologically Based Pharmacokinetic Drug–Disease Model to Predict Carvedilol Exposure in Adult and Paediatric Heart Failure Patients by Incorporating Pathophysiological Changes in Hepatic and Renal Blood Flows

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Physiologically based approaches towards the prediction of pharmacokinetics:in vitro–in vivoextrapolation

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Prediction of Drug Tissue to Plasma Concentration Ratios Using a Measured Volume of Distribution in Combination With Lipophilicity

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The Use of Modeling Tools to Drive Efficient Oral Product Design

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Predictive models for oral drug absorption: from in silico methods to integrated dynamical models

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Physiologically Based Pharmacokinetic Modeling

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A whole-body physiologically based pharmacokinetic (WB-PBPK) model of ciprofloxacin: a step towards predicting bacterial killing at sites of infection

Sadiq, M. W., Nielsen, E. I., Khachman, D., Conil, J., Georges, B., Houin, G., Laffont, C. M., Karlsson, M. O., & Friberg, L. E. (2016) · Journal of Pharmacokinetics and Pharmacodynamics · doi:10.1007/s10928-016-9486-9 · Cited by 46 · see citing works

Prediction of drug distribution within blood

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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

Chen, E. P., Bondi, R. W., & Michalski, P. J. (2021) · Journal of Medicinal Chemistry · doi:10.1021/acs.jmedchem.0c02033 · Cited by 44 · see citing works

Development and evaluation of physiologically based pharmacokinetic drug-disease models for predicting captopril pharmacokinetics in chronic diseases

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Quantitative Structure-Pharmacokinetic Relationships for the Prediction of Renal Clearance in Humans

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ECVAM and New Technologies for Toxicity Testing

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Prediction of volume of distribution at steady state in humans: comparison of different approaches

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A Mechanistic Physiologically Based Pharmacokinetic-Enzyme Turnover Model Involving both Intestine and Liver to Predict CYP3A Induction-Mediated Drug–Drug Interactions

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Physiologically-Based PK/PD Modelling of Therapeutic Macromolecules

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Prediction of Pharmacokinetic Profile of Valsartan in Humans Based onin vitroUptake‐Transport Data

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Physiologically Based Pharmacokinetic Modeling in Lead Optimization. 1. Evaluation and Adaptation of GastroPlus To Predict Bioavailability of Medchem Series

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Rational Selection of Bio-Enabling Oral Drug Formulations – A PEARRL Commentary

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Inter-individual Variability in the Pre-clinical Drug Cardiotoxic Safety Assessment—Analysis of the Age–Cardiomyocytes Electric Capacitance Dependence

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Evaluation of a basic physiologically based pharmacokinetic model for simulating the first-time-in-animal study

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The Use of Solubilizing Excipients and Approaches to Generate Toxicology Vehicles for Contemporary Drug Pipelines

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Physiologically Based Pharmacokinetic Modelling to Predict Single- and Multiple-Dose Human Pharmacokinetics of Bitopertin

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Predicting Antitumor Effect of Deoxypodophyllotoxin in NCI-H460 Tumor-Bearing Mice on the Basis of In Vitro Pharmacodynamics and a Physiologically Based Pharmacokinetic-Pharmacodynamic Model

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Risk Assessment in Extrapolation of Pharmacokinetics from Preclinical Data to Humans

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Physiologically Based Pharmacokinetic Modeling: A Tool for Understanding ADMET Properties and Extrapolating to Human

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Reductions in log P Improved Protein Binding and Clearance Predictions Enabling the Prospective Design of Cannabinoid Receptor (CB1) Antagonists with Desired Pharmacokinetic Properties

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Physiologically-Based Pharmacokinetic-Pharmacodynamics Model Characterizing CYP2C19 Polymorphisms to Predict Clopidogrel Pharmacokinetics and Its Anti-Platelet Aggregation Effect Following Oral Administration to Coronary Artery Disease Patients With or Without Diabetes

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Physiologically Based Pharmacokinetic Models for the Optimization of Antiretroviral Therapy: Recent Progress and Future Perspective

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Evaluation of Generic Methods to Predict Human Pharmacokinetics Using Physiologically Based Pharmacokinetic Model for Early Drug Discovery of Tyrosine Kinase Inhibitors

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High-Throughput Physiologically Based Pharmacokinetic Model for Rodent Pharmacokinetics Prediction Using Machine Learning-Predicted Inputs and a Large In Vivo Pharmacokinetics Data Set

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Service center location problems with decision dependent utilities and a pandemic case study

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Physicochemical Properties in Drug Profiling

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Physiologically Based Pharmacokinetic Modeling of Fimasartan, Amlodipine, and Hydrochlorothiazide for the Investigation of Drug–Drug Interaction Potentials

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Characteristics of β-oxidative and reductive metabolism on the acyl side chain of cinnamic acid and its analogues in rats

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Whole-body physiology-based pharmacokinetics of caspofungin for general patients, intensive care unit patients and hepatic insufficiency patients

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Testing Nanotoxicity: An Update of New and Traditional Methods

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Investigating clinical pharmacokinetics of brivaracetam by using a pharmacokinetic modeling approach

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Feasibility of Imaging Myelin Lesions in Multiple Sclerosis

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Application of physiologically based pharmacokinetic modeling in predicting drug–drug interactions for sarpogrelate hydrochloride in humans

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Legislative Measures for In Vitro–In Vivo Correlations and Pharmacokinetic Modeling

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Drug–Drug Interactions: What Have We Learned and Where Are We Going?

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PBPK: IntegratingIn VitroandIn SilicoData in Physiologically Based Models

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Investigation of an alternative generic model for predicting pharmacokinetic changes during physiological stress

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Recent Developments in Physiologically Based Pharmacokinetic Modeling

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Service Center Location with Decision Dependent UtilitiesPreprint

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In-Silico Methods for De-Risking the Clinical Development of Subcutaneously Administered Therapeutic Macromolecules

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Can We Predict Clinical Pharmacokinetics of Highly Lipophilic Compounds by Integration of Machine Learning or In Vitro Data into Physiologically Based Models? A Feasibility Study Based on 12 Development Compounds

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Prediction of Pharmacokinetics Prior to In Vivo Studies. II. Generic Physiologically Based Pharmacokinetic Models of Drug Disposition

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Evaluation of Generic Methods to Predict Human Pharmacokinetics Using Physiologically Based Pharmacokinetic Model for Early Drug Discovery of Tyrosine Kinase Inhibitors

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Evaluation of a Physiologically‐Based Pharmacokinetic Approach for Simulating the First‐Time‐In‐Animal Study

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APPLICATION OF A GENERIC PHYSIOLOGICALLY BASED PHARMACOKINETIC MODEL TO THE ESTIMATION OF XENOBIOTIC LEVELS IN RAT PLASMA

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