From physicochemistry to absorption and distribution: predictive mechanistic modelling and computational tools

Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings 1PII of original article: S0169-409X(96)00423-1. The article was originally published in Advanced Drug Delivery Reviews 23 (1997) 3–25. 1

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Prediction of Pharmacokinetics Prior to In Vivo Studies. 1. Mechanism‐Based Prediction of Volume of Distribution

Poulin, P., & Theil, F. (2002) · Journal of Pharmaceutical Sciences · doi:10.1002/jps.10005 · Cited by 568 · see citing works

A general pattern for substrate recognition by P‐glycoprotein

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A compartmental absorption and transit model for estimating oral drug absorption

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Selection criteria for drug‐like compounds

Muegge, I. (2003) · Medicinal Research Reviews · doi:10.1002/med.10041 · Cited by 418 · see citing works

Application of high-performance liquid chromatography based measurements of lipophilicity to model biological distribution

Valko, K. L. (2003) · Journal of Chromatography A · doi:10.1016/j.chroma.2003.10.084 · Cited by 367 · see citing works

A comparative study of artificial membrane permeability assay for high throughput profiling of drug absorption potential

Zhu, C., Jiang, L., Chen, T., & Hwang, K. (2002) · European Journal of Medicinal Chemistry · doi:10.1016/s0223-5234(02)01360-0 · Cited by 352 · see citing works

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

Poulin, P., & Theil, F. (2002) · Journal of Pharmaceutical Sciences · doi:10.1002/jps.10128 · Cited by 303 · see citing works

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

Dresser, M., Leabman, M. K., & Giacomini, K. (2001) · Journal of Pharmacy and Science · doi:10.1002/1520-6017(200104)90:4 · Cited by 285 · see citing works

A Physiological Model for the Estimation of the Fraction Dose Absorbed in Humans

Willmann, S., Schmitt, W., Keldenich, J., Lippert, J., & Dressman, J. (2004) · Journal of Medicinal Chemistry · doi:10.1021/jm030999b · Cited by 219 · see citing works

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

Parrott, N., & Lavé, T. (2002) · European Journal of Pharmaceutical Sciences · doi:10.1016/s0928-0987(02)00132-x · Cited by 170 · see citing works

Technological Advances in High-Throughput Screening

Liu, B., Li, S., & Hu, J. (2004) · American Journal of PharmacoGenomics · doi:10.2165/00129785-200404040-00006 · Cited by 120 · see citing works

A Physiologic Model for Simulating Gastrointestinal Flow and Drug Absorption in Rats

Willmann, S., Schmitt, W., Keldenich, J., & Dressman, J. (2003) · Pharmaceutical Research · doi:10.1023/b:pham.0000003373.72652.c0 · Cited by 98 · see citing works

Multilamellar Liposomes and Solid-Supported Lipid Membranes (TRANSIL): Screening of Lipid-Water Partitioning Toward a High-Throughput Scale

Loidl‐Stahlhofen, A., Hartmann, T., Schöttner, M., Röhring, C., Brodowsky, H. M., Schmitt, J., & Keldenich, J. (2001) · Pharmaceutical Research · doi:10.1023/a:1013343117979 · Cited by 77 · see citing works

How does P-glycoprotein recognize its substrates?

Seelig, A. (1998) · PubMed · Cited by 64 · see citing works

Solid-supported lipid membranes as a tool for determination of membrane affinity: High-throughput screening of a physicochemical parameter

Loidl‐Stahlhofen, A., Eckert, A., Hartmann, T., & Schöttner, M. (2001) · Journal of Pharmaceutical Sciences · doi:10.1002/1520-6017(200105)90:5 · Cited by 57 · see citing works

New Fluorescence Techniques for High-Throughput Drug Discovery

Jager, S., Brand, L., & Eggeling, C. (2003) · Current Pharmaceutical Biotechnology · doi:10.2174/1389201033377382 · Cited by 53 · see citing works

Comparative investigation of lipid and fatty acid composition of fish gills and mammalian lungs. A model of the membrane lipid component areas

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Untitled work

Taillefer (2000) · doi:10.1002/(sici)1520-6017(200001)89:1

Applied Concepts in PBPK Modeling: How to Build a PBPK/PD Model

Kuepfer, L., Niederalt, C., Wendl, T., Schlender, J., Willmann, S., Lippert, J., Block, M., Eissing, T., & Teutonico, D. (2016) · CPT: Pharmacometrics & Systems Pharmacology · doi:10.1002/psp4.12134 · Cited by 425 · see citing works

Development and Evaluation of a Generic Physiologically Based Pharmacokinetic Model for Children

Edginton, A. N., Schmitt, W., & Willmann, S. (2006) · Clinical Pharmacokinetics · doi:10.2165/00003088-200645100-00005 · Cited by 357 · see citing works

Development of a Physiology-Based Whole-Body Population Model for Assessing the Influence of Individual Variability on the Pharmacokinetics of Drugs

Willmann, S., Höhn, K., Edginton, A. N., Sevestre, M., Solodenko, J., Weiß, W. W., Lippert, J., & Schmitt, W. (2007) · Journal of Pharmacokinetics and Pharmacodynamics · doi:10.1007/s10928-007-9053-5 · Cited by 251 · see citing works

A Computational Systems Biology Software Platform for Multiscale Modeling and Simulation: Integrating Whole-Body Physiology, Disease Biology, and Molecular Reaction Networks

Eissing, T. (2011) · Frontiers in Physiology · doi:10.3389/fphys.2011.00004 · Cited by 204 · see citing works

Physiology-Based Simulations of a Pathological Condition

Edginton, A. N., & Willmann, S. (2008) · Clinical Pharmacokinetics · doi:10.2165/00003088-200847110-00005 · Cited by 203 · see citing works

Prediction of food effects on the absorption of celecoxib based on biorelevant dissolution testing coupled with physiologically based pharmacokinetic modeling

Shono, Y., Jantratid, E., Janssen, N., Kesisoglou, F., Mao, Y., Vertzoni, M., Reppas, C. I., & Dressman, J. (2009) · European Journal of Pharmaceutics and Biopharmaceutics · doi:10.1016/j.ejpb.2009.05.009 · Cited by 159 · see citing works

Physiologically Based Pharmacokinetic Modeling: Methodology, Applications, and Limitations with a Focus on Its Role in Pediatric Drug Development

Khalil, F., & Läer, S. (2011) · BioMed Research International · doi:10.1155/2011/907461 · Cited by 155 · see citing works

Whole body physiologically-based pharmacokinetic models: their use in clinical drug development

Edginton, A. N., Theil, F., Schmitt, W., & Willmann, S. (2008) · Expert Opinion on Drug Metabolism & Toxicology · doi:10.1517/17425255.4.9.1143 · Cited by 154 · see citing works

Evolution of a detailed physiological model to simulate the gastrointestinal transit and absorption process in humans, Part 1: Oral solutions

Thelen, K., Coboeken, K., Willmann, S., Burghaus, R., Dressman, J. B., & Lippert, J. (2011) · Journal of Pharmaceutical Sciences · doi:10.1002/jps.22726 · Cited by 139 · see citing works

Predicting Plasma Concentrations of Bisphenol A in Children Younger Than 2 Years of Age after Typical Feeding Schedules, using a Physiologically Based Toxicokinetic Model

Edginton, A. N., & Ritter, L. (2008) · Environmental Health Perspectives · doi:10.1289/ehp.0800073 · Cited by 138 · see citing works

Physiologically based pharmacokinetics (PBPK)

Espié, P., Tytgat, D., Sargentini-Maier, M.-L., Poggesi, I., & Watelet, J. (2009) · Drug Metabolism Reviews · doi:10.1080/10837450902891360 · Cited by 138 · see citing works

Forecasting in vivo oral absorption and food effect of micronized and nanosized aprepitant formulations in humans

Shono, Y., Jantratid, E., Kesisoglou, F., Reppas, C. I., & Dressman, J. (2010) · European Journal of Pharmaceutics and Biopharmaceutics · doi:10.1016/j.ejpb.2010.05.009 · Cited by 131 · see citing works

A generic whole body physiologically based pharmacokinetic model for therapeutic proteins in PK-Sim

Niederalt, C., Kuepfer, L., Solodenko, J., Eißing, T., Siegmund, H., Block, M. S., Willmann, S., & Lippert, J. (2017) · Journal of Pharmacokinetics and Pharmacodynamics · doi:10.1007/s10928-017-9559-4 · Cited by 118 · see citing works

A Systematic Evaluation of the Use of Physiologically Based Pharmacokinetic Modeling for Cross-Species Extrapolation

Thiel, C., Schneckener, S., Krauß, M., Ghallab, A., Hofmann, U., Kanacher, T., Zellmer, S., Gebhardt, R., Hengstler, J. G., & Kuepfer, L. (2014) · Journal of Pharmaceutical Sciences · doi:10.1002/jps.24214 · Cited by 117 · see citing works

In silico approach in reveal traditional medicine plants pharmacological material basis

Yi, F., Li, L., Xu, L., Meng, H., Dong, Y., Liu, H.-B., & Xiao, P. (2018) · Chinese Medicine · doi:10.1186/s13020-018-0190-0 · Cited by 115 · see citing works

Development of a Whole-Body Physiologically Based Pharmacokinetic Approach to Assess the Pharmacokinetics of Drugs in Elderly Individuals

Schlender, J., Meyer, M. C., Thelen, K., Krauß, M., Willmann, S., Eißing, T., & Jaehde, U. (2016) · Clinical Pharmacokinetics · doi:10.1007/s40262-016-0422-3 · Cited by 114 · see citing works

Using Expression Data for Quantification of Active Processes in Physiologically Based Pharmacokinetic Modeling

Meyer, M. C., Schneckener, S., Ludewig, B., Kuepfer, L., & Lippert, J. (2012) · Drug Metabolism and Disposition · doi:10.1124/dmd.111.043174 · Cited by 100 · see citing works

Development of a Paediatric Population-Based Model of the Pharmacokinetics of Rivaroxaban

Willmann, S., Becker, C., Burghaus, R., Coboeken, K., Edginton, A. N., Lippert, J., Siegmund, H., Thelen, K., & Mück, W. M. (2013) · Clinical Pharmacokinetics · doi:10.1007/s40262-013-0090-5 · Cited by 85 · see citing works

On the anticipation of the human dose in first-in-man trials from preclinical and prior clinical information in early drug development

Lowe, P. J., Hijazi, Y., Luttringer, O., Yin, H., Sarangapani, R., & Howard, D. (2007) · Xenobiotica · doi:10.1080/00498250701648008 · Cited by 82 · see citing works

Towards Quantitative Prediction of Oral Drug Absorption

Dressman, J., Thelen, K., & Jantratid, E. (2008) · Clinical Pharmacokinetics · doi:10.2165/00003088-200847100-00003 · Cited by 82 · see citing works

Experimental models for predicting drug absorption and metabolism

Alqahtani, S., Mohamed, L. A., & Kaddoumi, A. (2013) · Expert Opinion on Drug Metabolism & Toxicology · doi:10.1517/17425255.2013.802772 · Cited by 77 · see citing works

Evolution of a Detailed Physiological Model to Simulate the Gastrointestinal Transit and Absorption Process in Humans, Part II: Extension to Describe Performance of Solid Dosage Forms

Thelen, K., Coboeken, K., Willmann, S., Dressman, J., & Lippert, J. (2011) · Journal of Pharmaceutical Sciences · doi:10.1002/jps.22825 · Cited by 75 · see citing works

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

Gao, Y., Carr, R. A., Spence, J. K., Wang, W. W., Turner, T. M., Lipari, J. M., & Miller, J. M. (2010) · Molecular Pharmaceutics · doi:10.1021/mp100157s · Cited by 74 · see citing works

Focus on success: using a probabilistic approach to achieve an optimal balance of compound properties in drug discovery

Segall, M., Beresford, A. P., Gola, J. M. R., Hawksley, D., & Tarbit, M. (2006) · Expert Opinion on Drug Metabolism & Toxicology · doi:10.1517/17425255.2.2.325 · Cited by 71 · see citing works

The In Silico Child: Using Simulation to Guide Pediatric Drug Development and Manage Pediatric Pharmacotherapy

Läer, S., Barrett, J. S., & Meibohm, B. (2009) · The Journal of Clinical Pharmacology · doi:10.1177/0091270009337513 · Cited by 70 · see citing works

A Generic, Cross-Chemical Predictive PBTK Model with Multiple Entry Routes Running as Application in MS Excel; Design of the Model and Comparison of Predictions with Experimental Results

JONGENEELEN, F. J., & ten Berge, W. F. (2011) · The Annals of Occupational Hygiene · doi:10.1093/annhyg/mer075 · Cited by 70 · see citing works

Dynamically simulating the interaction of midazolam and the CYP3A4 inhibitor itraconazole using individual coupled whole-body physiologically-based pharmacokinetic (WB-PBPK) models

Vossen, M., Sevestre, M., Niederalt, C., Jang, I., Willmann, S., & Edginton, A. N. (2007) · Theoretical Biology and Medical Modelling · doi:10.1186/1742-4682-4-13 · Cited by 62 · see citing works

Quality Assurance of PBPK Modeling Platforms and Guidance on Building, Evaluating, Verifying and Applying PBPK Models Prudently under the Umbrella of Qualification: Why, When, What, How and By Whom?

Frechen, S., & Rostami‐Hodjegan, A. (2022) · Pharmaceutical Research · doi:10.1007/s11095-022-03250-w · Cited by 58 · see citing works

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

Buck, S. S. D., & Mackie, C. E. (2007) · Expert Opinion on Drug Metabolism & Toxicology · doi:10.1517/17425255.3.6.865 · Cited by 58 · see citing works

Pharmacokinetic predictions in children by using the physiologically based pharmacokinetic modelling

Bouzom, F., & Walther, B. (2008) · Fundamental and Clinical Pharmacology · doi:10.1111/j.1472-8206.2008.00648.x · Cited by 55 · see citing works

Using data from drug discovery and development to aid the aquatic environmental risk assessment of human pharmaceuticals: Concepts, considerations, and challenges

Winter, M. J., Owen, S. F., Murray‐Smith, R., Panter, G. H., Hetheridge, M. J., & Kinter, L. B. (2009) · Integrated Environmental Assessment and Management · doi:10.1897/ieam_2009-044.1 · Cited by 53 · see citing works

Biorelevant media for transport experiments in the Caco-2 model to evaluate drug absorption in the fasted and the fed state and their usefulness

Markopoulos, C. J., Thoenen, F., Preisig, D., Symillides, M., Vertzoni, M., Parrott, N. J., Reppas, C. I., & Imanidis, G. (2013) · European Journal of Pharmaceutics and Biopharmaceutics · doi:10.1016/j.ejpb.2013.10.017 · Cited by 52 · see citing works

Development and Validation of a Physiology-based Model for the Prediction of Oral Absorption in Monkeys

Willmann, S., Edginton, A. N., & Dressman, J. (2007) · Pharmaceutical Research · doi:10.1007/s11095-007-9247-y · Cited by 52 · see citing works

Bayesian Population Physiologically-Based Pharmacokinetic (PBPK) Approach for a Physiologically Realistic Characterization of Interindividual Variability in Clinically Relevant Populations

Krauß, M., Tappe, K., Schuppert, A., Kuepfer, L., & Görlitz, L. (2015) · PLoS ONE · doi:10.1371/journal.pone.0139423 · Cited by 51 · see citing works

Spatio-Temporal Simulation of First Pass Drug Perfusion in the Liver

Schwen, L. O., Krauß, M., Niederalt, C., Gremse, F., Kiessling, F. M., Schenk, A., Preußer, T., & Kuepfer, L. (2014) · PLoS Computational Biology · doi:10.1371/journal.pcbi.1003499 · Cited by 50 · see citing works

In SilicoModeling for the Nonlinear Absorption Kinetics of UK-343,664: A P-gp and CYP3A4 Substrate

Abuasal, B., Bolger, M. B., Walker, D. K., & Kaddoumi, A. (2012) · Molecular Pharmaceutics · doi:10.1021/mp200275j · Cited by 49 · see citing works

The Use of Modeling Tools to Drive Efficient Oral Product Design

Mathias, N. R., & Crison, J. R. (2012) · The AAPS Journal · doi:10.1208/s12248-012-9372-3 · Cited by 49 · see citing works

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

Dokoumetzidis, A., Kalantzi, L., & Fotaki, N. (2007) · Expert Opinion on Drug Metabolism & Toxicology · doi:10.1517/17425255.3.4.491 · Cited by 48 · see citing works

Quantification of the Impact of Partition Coefficient Prediction Methods on Physiologically Based Pharmacokinetic Model Output Using a Standardized Tissue Composition

Utsey, K., Gastonguay, M. S., Russell, S., Freling, R., Riggs, M. M., & Elmokadem, A. (2020) · Drug Metabolism and Disposition · doi:10.1124/dmd.120.090498 · Cited by 46 · see citing works

A Physiological Approach to Pharmacokinetics in Chronic Kidney Disease

Malik, P. R. V., Yeung, C. H. T., Ismaeil, S., Advani, U., Djie, S., & Edginton, A. N. (2020) · The Journal of Clinical Pharmacology · doi:10.1002/jcph.1713 · Cited by 45 · see citing works

Opportunities and challenges of physiologically based pharmacokinetic modeling in drug delivery

Wang, W., & Ouyang, D. (2022) · Drug Discovery Today · doi:10.1016/j.drudis.2022.04.015 · Cited by 44 · see citing works

A Mechanistic, Model‐Based Approach to Safety Assessment in Clinical Development

Lippert, J., Brosch, M., von Kampen, O., Meyer, M., Siegmund, H. ‐., Schafmayer, C., Becker, T., Laffert, B., Görlitz, L., Schreiber, S., et al. (2012) · CPT: Pharmacometrics & Systems Pharmacology · doi:10.1038/psp.2012.14 · Cited by 43 · see citing works

Ionization-specific analysis of human intestinal absorption

Reynolds, D. P., Lanevskij, K., Japertas, P., Didžiapetris, R., & Petrauskas, A. A. (2009) · Journal of Pharmaceutical Sciences · doi:10.1002/jps.21730 · Cited by 43 · see citing works

Application of Machine Learning and Mechanistic Modeling to Predict Intravenous Pharmacokinetic Profiles in Humans

Jia, X., Teutonico, D., Dhakal, S., Psarellis, Y. M., Abós, A., Zhu, H., Mavroudis, P. D., & Pillai, N. (2025) · Journal of Medicinal Chemistry · doi:10.1021/acs.jmedchem.5c00340 · Cited by 37 · see citing works

A Physiologically-Based Pharmacokinetic Model to Describe Ciprofloxacin Pharmacokinetics Over the Entire Span of Life

Schlender, J., Teutonico, D., Coboeken, K., Schnizler, K., Eißing, T., Willmann, S., Jaehde, U., & Staß, H. (2018) · Clinical Pharmacokinetics · doi:10.1007/s40262-018-0661-6 · Cited by 36 · see citing works

Physiologically-Based PK/PD Modelling of Therapeutic Macromolecules

Thygesen, P., Macheras, P. E., & Peer, A. V. (2009) · Pharmaceutical Research · doi:10.1007/s11095-009-9990-3 · Cited by 36 · see citing works

Physiologically based pharmacokinetic modelling of high- and low-dose etoposide: from adults to children

Kersting, G., Willmann, S., Würthwein, G., Lippert, J., Boos, J., & Hempel, G. (2011) · Cancer Chemotherapy and Pharmacology · doi:10.1007/s00280-011-1706-9 · Cited by 36 · see citing works

Systematic evaluation of high-throughput PBK modelling strategies for the prediction of intravenous and oral pharmacokinetics in humans

Geci, R., Gadaleta, D., de Lomana, M. G., Ortega-Vallbona, R., Colombo, E., Serrano‐Candelas, E., Paini, A., Kuepfer, L., & Schaller, S. (2024) · Archives of Toxicology · doi:10.1007/s00204-024-03764-9 · Cited by 35 · see citing works

Physiologically based pharmacokinetic‐pharmacodynamic evaluation of meropenem plus fosfomycin in paediatrics

Martins, F. S., Zhu, P., Heinrichs, M. T., & Sy, S. K. B. (2020) · British Journal of Clinical Pharmacology · doi:10.1111/bcp.14456 · Cited by 34 · see citing works

Utilizing In Vitro and PBPK Tools to Link ADME Characteristics to Plasma Profiles: Case Example Nifedipine Immediate Release Formulation

Wagner, C., Thelen, K., Willmann, S., Selen, A., & Dressman, J. (2013) · Journal of Pharmaceutical Sciences · doi:10.1002/jps.23611 · Cited by 33 · see citing works

Use of Real‐World Data and Physiologically‐Based Pharmacokinetic Modeling to Characterize Enoxaparin Disposition in Children With Obesity

Gerhart, J. G., Carreño, F. O., Loop, M. S., Lee, C. R., Edginton, A. N., Sinha, J., Kumar, K. R., Kirkpatrick, C. M. J., Hornik, C. P. V., & González, D. (2022) · Clinical Pharmacology & Therapeutics · doi:10.1002/cpt.2618 · Cited by 30 · see citing works

Theoretical Considerations on Quantitative Prediction of Drug-Drug Interactions

Hisaka, A., Ohno, Y., Yamamoto, T., & Suzuki, H. (2010) · Drug Metabolism and Pharmacokinetics · doi:10.2133/dmpk.25.48 · Cited by 30 · see citing works

A physiologically based pharmacokinetic and pharmacodynamic (PBPK/PD) model of the histone deacetylase (HDAC) inhibitor vorinostat for pediatric and adult patients and its application for dose specification

Moj, D., Britz, H., Burhenne, J., Stewart, C. F., Egerer, G., Haefeli, W. E., & Lehr, T. (2017) · Cancer Chemotherapy and Pharmacology · doi:10.1007/s00280-017-3447-x · Cited by 29 · see citing works

Physiologically based pharmacokinetic modelling: a sub-compartmentalized model of tissue distribution

von Kleist, M., & Huisinga, W. (2007) · Journal of Pharmacokinetics and Pharmacodynamics · doi:10.1007/s10928-007-9071-3 · Cited by 29 · see citing works

Machine learning framework to predict pharmacokinetic profile of small molecule drugs based on chemical structure

Pillai, N., Abós, A., Teutonico, D., & Mavroudis, P. D. (2024) · Clinical and Translational Science · doi:10.1111/cts.13824 · Cited by 28 · see citing works

Analysis of Nifedipine Absorption from Soft Gelatin Capsules Using PBPK Modeling and Biorelevant Dissolution Testing

Thelen, K., Jantratid, E., Dressman, J., Lippert, J., & Willmann, S. (2009) · Journal of Pharmaceutical Sciences · doi:10.1002/jps.22026 · Cited by 28 · see citing works

Building a 3D Virtual Liver: Methods for Simulating Blood Flow and Hepatic Clearance on 3D Structures

White, D., Coombe, D., Rezania, V., & Tuszyński, J. A. (2016) · PLoS ONE · doi:10.1371/journal.pone.0162215 · Cited by 28 · see citing works

Whole-body physiologically based pharmacokinetic population modelling of oral drug administration: inter-individual variability of cimetidine absorption

Willmann, S., Edginton, A. N., Kleine-Besten, M., Jantratid, E., Thelen, K., & Dressman, J. (2009) · Journal of Pharmacy and Pharmacology · doi:10.1211/jpp.61.07.0008 · Cited by 27 · see citing works

Multiscale Mechanistic Modeling in Pharmaceutical Research and Development

Kuepfer, L., Lippert, J., & Eißing, T. (2011) · Advances in experimental medicine and biology · doi:10.1007/978-1-4419-7210-1_32 · Cited by 25 · see citing works

Application of Physiologically‐Based and Population Pharmacokinetic Modeling for Dose Finding and Confirmation During the Pediatric Development of Moxifloxacin

Willmann, S., Frei, M., Sutter, G., Coboeken, K., Wendl, T., Eißing, T., Lippert, J., & Staß, H. (2019) · CPT Pharmacometrics & Systems Pharmacology · doi:10.1002/psp4.12446 · Cited by 25 · see citing works

Evaluation and Optimisation of Current Milrinone Prescribing for the Treatment and Prevention of Low Cardiac Output Syndrome in Paediatric Patients After Open Heart Surgery Using a Physiology-Based Pharmacokinetic Drug–Disease Model

Vogt, W. (2013) · Clinical Pharmacokinetics · doi:10.1007/s40262-013-0096-z · Cited by 24 · see citing works

Development and validation of a physiology-based model for the prediction of pharmacokinetics/toxicokinetics in rabbits

Mavroudis, P. D., Hermes, H. E., Teutonico, D., Preuß, T. G., & Schneckener, S. (2018) · PLoS ONE · doi:10.1371/journal.pone.0194294 · Cited by 24 · see citing works

Application of machine learning in combination with mechanistic modeling to predict plasma exposure of small molecules

Mavroudis, P. D., Teutonico, D., Abós, A., & Pillai, N. (2023) · Frontiers in Systems Biology · doi:10.3389/fsysb.2023.1180948 · Cited by 22 · see citing works

The development of a population physiologically based pharmacokinetic model for mycophenolic mofetil and mycophenolic acid in humans using data from plasma, saliva, and kidney tissue

Alsmadi, M. M., Alfarah, M. Q., Albderat, J., Alsalaita, G., Almardini, R. I., Hamadi, S., Al‐Ghazawi, A., Abu‐Duhair, O., & Idkaidek, N. (2019) · Biopharmaceutics & Drug Disposition · doi:10.1002/bdd.2206 · Cited by 22 · see citing works

Does the choice of applied physiologically‐based pharmacokinetics platform matter? A case study on simvastatin disposition and drug–drug interaction

Prieto Garcia, L., Lundahl, A., Ahlström, C., Vildhede, A., Lennernäs, H., & Sjögren, E. (2022) · CPT: Pharmacometrics & Systems Pharmacology · doi:10.1002/psp4.12837 · Cited by 21 · see citing works

Physiologically based pharmacokinetic modeling of brivaracetam and its interactions with rifampin based on CYP2C19 phenotypes

Yang, H., Yang, L., Zhong, X., Jiang, X., Zheng, L., & Wang, L. (2022) · European Journal of Pharmaceutical Sciences · doi:10.1016/j.ejps.2022.106258 · Cited by 20 · see citing works

Physicochemical Approaches to Drug Absorption

Waterbeemd, H. V. D. (2008) · Methods and principles in medicinal chemistry · doi:10.1002/9783527623860.ch5 · Cited by 20 · see citing works

Defining the Role of Macrophages in Local Moxifloxacin Tissue Concentrations using Biopsy Data and Whole-Body Physiologically Based Pharmacokinetic Modelling

Edginton, A. N., Ahr, G., Willmann, S., & Staß, H. (2009) · Clinical Pharmacokinetics · doi:10.2165/00003088-200948030-00004 · Cited by 19 · see citing works

Physiologically based pharmacokinetic modeling of levetiracetam to predict the exposure in hepatic and renal impairment and elderly populations

Shen, C., Shao, W., Wang, W., Sun, H., Wang, X., Geng, K., Wang, X., & Xie, H. (2023) · CPT Pharmacometrics & Systems Pharmacology · doi:10.1002/psp4.12971 · Cited by 18 · see citing works

Development of Physiologically Based Organ Models to Evaluate the Pharmacokinetics of Drugs in the Testes and the Thyroid Gland

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Use of Physiologically-Based Kinetics Modelling to Reliably Predict Internal Concentrations of the UV Filter, Homosalate, After Repeated Oral and Topical Application

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