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Physiologically based biopharmaceutics modeling of regional and colon absorption in humans

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An automated approach to identify scientific publications reporting pharmacokinetic parameters

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ADME and DMPK considerations for the discovery and development of antibody drug conjugates (ADCs)

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Discovery of GLPG2737, a Potent Type 2 Corrector of CFTR for the Treatment of Cystic Fibrosis in Combination with a Potentiator and a Type 1 Co-corrector

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Pharmacokinetic considerations for enhancing drug repurposing opportunities of anthelmintics: Niclosamide as a case study

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Nonclinical & clinical interface - extrapolation of nonclinical data to support Phase I clinical studies

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Scaffold hopping approaches for dual-target antitumor drug discovery: opportunities and challenges

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ADME Principles in Small Molecule Drug Discovery and Development: An Industrial Perspective

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Approaches to Account for Colon Absorption in Physiologically Based Biopharmaceutics Modeling of Extended-Release Drug Products

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MMPK: A Multimodal Deep Learning Framework to Predict Human Oral Pharmacokinetic Parameters

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Refined ADME Profiles for ATC Drug Classes

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In-silico Binding, Stability, Pharmacokinetics, and Toxicity Studies on Natural (-)-ambrox Metabolites as Binding Ligands to Luminal B and Triple-negative/basal-like Proteins for Breast Cancer Therapy

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Nintedanib loaded iron (III) chelated melanin nanoparticles as an MRI-visible antifibrotic drug delivery system

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How translational modeling in oncology needs to get the mechanism just right

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PKSmart: an open-source computational model to predict intravenous pharmacokinetics of small molecules

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ADME Optimization in Drug Discovery

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Harnessing CRISPR technology for next-generation microphysiological systems

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Predicting First-in-Human Pharmacokinetics: Comparative Evaluation of Standard PBPK, High-Throughput PBPK, and Machine Learning

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In silico model to predict dermal absorption of chemicals in finite dose conditions

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Every Compound a Candidate: experience-led risk-taking approaches to accelerate small-molecule drug discovery

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Opportunities for Accelerating Drug Discovery and Development by Using Engineered Drug-Metabolizing Enzymes

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A mismatch in enzyme-redox partnerships underlies divergent cytochrome P450 activities between human hepatocytes and microsomes

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The Role of Artificial Intelligence in Therapeutic Drug Monitoring and Clinical Toxicity

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An Ultrasoft and Flexible PDMS-Based Balloon-Type Implantable Device for Controlled Drug Delivery

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LSTM ‐Based Prediction of Human PK Profiles and Parameters for Intravenous Small Molecule Drugs Using ADME and Physicochemical Properties

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Artificial Intelligence Methods in Marine Biotechnology

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How effective are ionization state-based QSPKR models at predicting pharmacokinetic parameters in humans?

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Human Pharmacokinetic and CYP3A Drug–Drug Interaction Prediction of GDC-2394 Using Physiologically Based Pharmacokinetic Modeling and Biomarker Assessment

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Structure–Tissue Exposure/Selectivity Relationship (STR) on Carbamates of Cannabidiol

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A Machine Learning-Empowered Quantitative Structure–Activity Relationship Model for Predicting the Plasma Half-life of Drugs in Dogs

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The history of β-aminoisobutyric acid: from a waste metabolite to a druggable compound for metabolic disease. A narrative review

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Discovery of MK-1088 as a Potent A 2A /A 2B Adenosine Receptor Dual-Antagonist for Cancer Immunotherapy

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Phenolic compounds in human health from biofunctionality and bioavailability to gut brain interactions and disease prevention

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Preclinical pharmacokinetic studies and prediction of human PK profiles for Deg-AZM, a clinical-stage new transgelin agonist

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The pharmacokinetics of the injectable dosage form of GK-2 in rabbits

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Matters arising: In vivo effects of the alpha-synuclein misfolding inhibitor minzasolmin supports clinical development in Parkinson’s disease

Steiner, M. A. (2024) · npj Parkinson s Disease · doi:10.1038/s41531-024-00657-7 · Cited by 1 · see citing works

Use of new approach methodology for hepatic safety assessment of covalent inhibitor drug candidates

Amberntsson, S., Foster, A. J., Chouhan, B., Wilkinson, S. D., Harlfinger, S., Smith, G., Kettle, J. G., Niedbala, M. J., Kavanagh, S. L., & Williams, D. P. (2025) · Toxicology Research · doi:10.1093/toxres/tfaf054 · Cited by 1 · see citing works

Optimization of Bottom‐Up PBPK Model Development in SIMCYP via Retrospective Analysis of Clinical Human PK Data

Schulz, J., Leblanc, A. F., Chowdhury, E. A., Qian, Y., Rezaei, L., Lee, C. M., Badawi, M. A., & Kikuchi, R. (2025) · Clinical and Translational Science · doi:10.1111/cts.70417 · Cited by 2 · see citing works

Structure-Based Virtual Screening Discovers Potent PLK1 Inhibitors with Anticancer Activity

Zhang, Q., Zhu, W., Cai, Y., Meng, Y., Tan, W. C., Li, J., Lu, X., & Du, H. (2026) · Journal of Chemical Information and Modeling · doi:10.1021/acs.jcim.5c02253 · Cited by 1 · see citing works

Target‐Engagement Prediction From Molecular Structure, In Vitro and Animal Data: A Tutorial for Early Assessment of Clinical Drug Exposure and Therapeutic/Adverse Potential Using the ANDROMEDA and PLATO Software on the InSilicoTrials Platform

Totis, N., Sips, F. L. P., Catozzi, S., Bisotti, M.-A., Bambury, P., Stathopoulos, S., Carbone, V., Emili, L., Torchia, M., Belgiovine, V., et al. (2026) · CPT Pharmacometrics & Systems Pharmacology · doi:10.1002/psp4.70353 · Cited by 1 · see citing works

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

Gawehn, E., Greene, N., Miljković, F. N., Obrezanova, O., Subramanian, V., Trapotsi, M., & Winiwarter, S. (2024) · Xenobiotica · doi:10.1080/00498254.2024.2352598 · Cited by 17 · see citing works

Actionable Predictions of Human Pharmacokinetics at the Drug Design Stage

Komissarov, L., Manevski, N., Zbinden, K. G., Schindler, T., Žitnik, M., & Sach-Peltason, L. (2024) · Molecular Pharmaceutics · doi:10.1021/acs.molpharmaceut.4c00311 · Cited by 18 · see citing works

Prospective Predictions of Human Pharmacokinetics for Eighteen Compounds

Zhang, T., Heimbach, T., Lin, W., Zhang, J., & He, H. (2015) · Journal of Pharmaceutical Sciences · doi:10.1002/jps.24373 · Cited by 56 · see citing works

Predicting human pharmacokinetics from preclinical data: absorption

Yim, D., Choi, S., & Bae, S. H. (2020) · Translational and Clinical Pharmacology · doi:10.12793/tcp.2020.28.e14 · Cited by 22 · see citing works

Predicting unpredictable human pharmacokinetics: case studies from the trenches of drug discovery

Yang, Z. (2023) · Elsevier eBooks · doi:10.1016/b978-0-12-817134-9.00022-2