ArticlePharmaceutical research2014
The use of ROC analysis for the qualitative prediction of human oral bioavailability from animal data.
Article in Pharmaceutical research, 2014. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 20 papers.
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Who cites it
20 citing papers in PubMed.
- Semaglutide Bioavailability: Limitations, Formulation Innovation and Future Opportunities.Pharmaceutical research · 2026Review
- Evaluating Preclinical-to-Human Bioavailability Classification Using Smooth ROC Curve Estimation.CPT: pharmacometrics & systems pharmacology · 2026Article
- Reflections on the Theoretical Prerequisites for Initial Oral Antibiotic Treatment for Paediatric Bone and Joint Infections: A Narrative Review.Antibiotics (Basel, Switzerland) · 2026Review
- Gel Delivery Systems in Dental Medicine: From Controlled Release to Regenerative Applications.Gels (Basel, Switzerland) · 2025Review
- Recent advancement in polymeric nanoparticles for oral chemotherapy: Transforming cancer treatment.BioImpacts : BI · 2025Review
- Unraveling the Omega-3 Puzzle: Navigating Challenges and Innovations for Bone Health and Healthy Aging.Marine drugs · 2024Review
- Therapeutic, and pharmacological prospects of nutmeg seed: A comprehensive review for novel drug potential insights.Saudi pharmaceutical journal : SPJ : the official publication of the Saudi Pharmaceutical Society · 2024Review
- The Bioavailability of Drugs-The Current State of Knowledge.Molecules (Basel, Switzerland) · 2023Review
- Molecular docking-based virtual screening, drug-likeness, and pharmacokinetic profiling of some anti-Journal of Taibah University Medical Sciences · 2023Article
- The Role of Plant-Derived Natural Products in the Management of Inflammatory Bowel Disease-What Is the Clinical Evidence So Far?Life (Basel, Switzerland) · 2023Review
- COVID-19 Therapeutic Potential of Natural Products.International journal of molecular sciences · 2023Review
- HobPre: accurate prediction of human oral bioavailability for small molecules.Journal of cheminformatics · 2022Article
- The emergence of nanoporous materials in lung cancer therapy.Science and technology of advanced materials · 2022Review
- Syntheses of mono-acylated luteolin derivatives, evaluation of their antiproliferative and radical scavenging activities and implications on their oral bioavailability.Scientific reports · 2021Article
- Prediction of the Oral Bioavailability Correlation Between Humans and Preclinical Animals.European journal of drug metabolism and pharmacokinetics · 2020Article
- A Receiver Operating Characteristic Framework for Non-adherence Detection Using Drug Concentration Thresholds-Application to Simulated Risperidone Data in Schizophrenic Patients.The AAPS journal · 2019Article
- A novel adaptive ensemble classification framework for ADME prediction.RSC advances · 2018Article
- Novel high/low solubility classification methods for new molecular entities.International journal of pharmaceutics · 2016Article
- Latest QSAR study of adenosine Α₂Β receptor affinity of xanthines and deazaxanthines.Molecular diversity · 2015Article
- Advances in computationally modeling human oral bioavailability.Advanced drug delivery reviews · 2015Review
Corrections and comments
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Authors and funding
6 authors.
Funding
Abstract
purposeTo develop and evaluate a tool for the qualitative prediction of human oral bioavailability (Fhuman) from animal oral bioavailability (Fanimal) data employing ROC analysis and to identify the optimal thresholds for such predictions.
methodsA dataset of 184 compounds with known Fhuman and Fanimal in at least one species (mouse, rat, dog and non-human primates (NHP)) was employed. A binary classification model for Fhuman was built by setting a threshold for high/low Fhuman at 50%. The thresholds for high/low Fanimal were varied from 0 to 100 to generate the ROC curves. Optimal thresholds were derived from 'cost analysis' and the outcomes with respect to false negative and false positive predictions were analyzed against the BDDCS class distributions.
resultsWe successfully built ROC curves for the combined dataset and per individual species. Optimal Fanimal thresholds were found to be 67% (mouse), 22% (rat), 58% (dog), 35% (NHP) and 47% (combined dataset). No significant trends were observed when sub-categorizing the outcomes by the BDDCS.
conclusionsFanimal can predict high/low Fhuman with adequate sensitivity and specificity. This methodology and associated thresholds can be employed as part of decisions related to planning necessary studies during development of new drug candidates and lead selection.
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