ArticleScientific reports2019
Development of an in silico prediction system of human renal excretion and clearance from chemical structure information incorporating fraction unbound in plasma as a descriptor.
Article in Scientific reports, 2019. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 26 papers.
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Who cites it
26 citing papers in PubMed, 50 citations in OpenAlex.
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- Construction of a curated human pharmacokinetics database for molecular fragment analysis and machine learning applications.Drug metabolism and disposition: the biological fate of chemicals · 2026Article
- A review on integrated machine learning and deep learning driven artificial intelligence models for pharmacokinetics and toxicokinetics predictions, and their application.Drug metabolism and disposition: the biological fate of chemicals · 2026Review
- Design of inhibitors to Klebsiella pneumoniae aspartate semialdehyde dehydrogenase towards hospital-acquired infections.Molecular diversity · 2026Article
- Dataset of xenobiotics human renal clearance values.Database : the journal of biological databases and curation · 2026Article
- PKSmart: an open-source computational model to predict intravenous pharmacokinetics of small molecules.Journal of cheminformatics · 2025Article
- Unveiling CYP450 inhibition by the pesticide prothioconazole through integrated in vitro studies and PBPK modeling.Archives of toxicology · 2025Article
- In Vitro and In Vivo Pharmacokinetic Characterization of 7-Hydroxymitragynine, an Active Metabolite of Mitragynine, in Sprague-Dawley Rats.European journal of drug metabolism and pharmacokinetics · 2025Article
- Toxicological insights and safety considerations of vorasidenib in grade 2 astrocytoma and oligodendroglioma.International journal of surgery (London, England) · 2025Article
- Leveraging machine learning models in evaluating ADMET properties for drug discovery and development.ADMET & DMPK · 2025Review
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- Computational exploration ofFrontiers in chemistry · 2024Article
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- The Trends and Future Prospective of In Silico Models from the Viewpoint of ADME Evaluation in Drug Discovery.Pharmaceutics · 2023Review
- Exploration of CviR-mediated quorum sensing inhibitors from Cladosporium spp. against Chromobacterium violaceum through computational studies.Scientific reports · 2023Article
- DruMAP: A Novel Drug Metabolism and Pharmacokinetics Analysis Platform.Journal of medicinal chemistry · 2023Article
- Artificial Intelligence in Drug Metabolism and Excretion Prediction: Recent Advances, Challenges, and Future Perspectives.Pharmaceutics · 2023Review
- Physiologically Based Pharmacokinetic Modelling to Predict Pharmacokinetics of Enavogliflozin, a Sodium-Dependent Glucose Transporter 2 Inhibitor, in Humans.Pharmaceutics · 2023Article
- In Vitro and In Silico Studies for the Identification of Potent Metabolites of Some High-Altitude Medicinal Plants from Nepal Inhibiting SARS-CoV-2 Spike Protein.Molecules (Basel, Switzerland) · 2022Article
- Identification of novel natural drug candidates against BRAF mutated carcinoma; An integrative in-silico structure-based pharmacophore modeling and virtual screening process.Frontiers in chemistry · 2022Article
Corrections and comments
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Authors and funding
7 authors at 3 institutions in 1 country.
Funding
No grant is acknowledged in the PubMed record.
Abstract
Prediction of pharmacokinetic profiles of new chemical entities is essential in drug development to minimize the risks of potential withdrawals. The excretion of unchanged compounds by the kidney constitutes a major route in drug elimination and plays an important role in pharmacokinetics. Herein, we created in silico prediction models of the fraction of drug excreted unchanged in the urine (f
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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.