ArticlePLoS computational biology2016
Developing a Physiologically-Based Pharmacokinetic Model Knowledgebase in Support of Provisional Model Construction.
Article in PLoS computational biology, 2016. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 21 papers, 1 of them a synthesis that pooled it.
What it found
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The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.
The trial behind it
Trials whose registry record cites this paper, or whose number appears in the abstract. A trial that started after this paper was published is citing it as background, not reporting it.
Neither the registry nor the abstract names a trial number. If this is a trial report, that itself is worth knowing.
Who cites it
21 citing papers in PubMed, 1 synthesis or guideline pooled it.
- A Systematic Review of Published Physiologically-based Kinetic Models and an Assessment of their Chemical Space Coverage.Alternatives to laboratory animals : ATLA · 2021Pooled it
- Physiologically Based Pharmacokinetic (PBPK) Modeling of Antidepressants: A Scoping Review of Existing Models, Applications, and Software Tools.Clinical pharmacokinetics · 2026Article
- Applications of PBPK Models to Predict Tissue Residues and Extralabel Withdrawal Times of Drugs in Food Animals: Perspectives from the Food Animal Residue Avoidance Databank (FARAD) Program.The AAPS journal · 2025Review
- Bayesian refinement of a physiologically based pharmacokinetic model for ethylbenzene pharmacokinetics in mice, rats, and humans.Toxicological sciences : an official journal of the Society of Toxicology · 2025Article
- A physiologically based pharmacokinetic/pharmacodynamic model to determine dosage regimens and withdrawal intervals of aditoprim againstFrontiers in pharmacology · 2024Article
- In Silico Prediction of Pharmacokinetic Profile for Human Oral Drug Candidates Which Lack Clinical Pharmacokinetic Experiment Data.European journal of drug metabolism and pharmacokinetics · 2022Article
- IVIVE: Facilitating the Use ofToxics · 2022Review
- High-throughput PBTK models forExpert opinion on drug metabolism & toxicology · 2021Review
- DES-Tcell is a knowledgebase for exploring immunology-related literature.Scientific reports · 2021Article
- Integration of data across toxicity endpoints for improved safety assessment of chemicals: the example of carcinogenicity assessment.Archives of toxicology · 2021Article
- Assessment of the predictive capacity of a physiologically based kinetic model using a read-across approach.Computational toxicology (Amsterdam, Netherlands) · 2021Article
- Modeling Pharmacokinetic Natural Product-Drug Interactions for Decision-Making: A NaPDI Center Recommended Approach.Pharmacological reviews · 2021Review
- Development of a physiologically-based pharmacokinetic pediatric brain model for prediction of cerebrospinal fluid drug concentrations and the influence of meningitis.PLoS computational biology · 2019Article
- Role of Physiologically Based Kinetic modelling in addressing environmental chemical mixtures - A review.Computational toxicology (Amsterdam, Netherlands) · 2019Article
- Challenges in working towards an internal threshold of toxicological concern (iTTC) for use in the safety assessment of cosmetics: Discussions from the Cosmetics Europe iTTC Working Group workshop.Regulatory toxicology and pharmacology : RTP · 2019Review
- Next generation physiologically based kinetic (NG-PBK) models in support of regulatory decision making.Computational toxicology (Amsterdam, Netherlands) · 2019Review
- A Semi-Physiologically Based Pharmacokinetic Model Describing the Altered Metabolism of Midazolam Due to Inflammation in Mice.Pharmaceutical research · 2018Article
- Challenges Associated With Applying Physiologically Based Pharmacokinetic Modeling for Public Health Decision-Making.Toxicological sciences : an official journal of the Society of Toxicology · 2018Review
- Automated workflows for modelling chemical fate, kinetics and toxicity.Toxicology in vitro : an international journal published in association with BIBRA · 2017Article
- Investigating the state of physiologically based kinetic modelling practices and challenges associated with gaining regulatory acceptance of model applications.Regulatory toxicology and pharmacology : RTP · 2017Article
Corrections and comments
PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.
Authors and funding
13 authors.
Funding
No grant is acknowledged in the PubMed record.
Abstract
Developing physiologically-based pharmacokinetic (PBPK) models for chemicals can be resource-intensive, as neither chemical-specific parameters nor in vivo pharmacokinetic data are easily available for model construction. Previously developed, well-parameterized, and thoroughly-vetted models can be a great resource for the construction of models pertaining to new chemicals. A PBPK knowledgebase was compiled and developed from existing PBPK-related articles and used to develop new models. From 2,039 PBPK-related articles published between 1977 and 2013, 307 unique chemicals were identified for use as the basis of our knowledgebase. Keywords related to species, gender, developmental stages, and organs were analyzed from the articles within the PBPK knowledgebase. A correlation matrix of the 307 chemicals in the PBPK knowledgebase was calculated based on pharmacokinetic-relevant molecular descriptors. Chemicals in the PBPK knowledgebase were ranked based on their correlation toward ethylbenzene and gefitinib. Next, multiple chemicals were selected to represent exact matches, close analogues, or non-analogues of the target case study chemicals. Parameters, equations, or experimental data relevant to existing models for these chemicals and their analogues were used to construct new models, and model predictions were compared to observed values. This compiled knowledgebase provides a chemical structure-based approach for identifying PBPK models relevant to other chemical entities. Using suitable correlation metrics, we demonstrated that models of chemical analogues in the PBPK knowledgebase can guide the construction of PBPK models for other chemicals.
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What OpenQuestion holds
Registered trials
Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.