ArticleJournal of medicinal chemistry2023
DruMAP: A Novel Drug Metabolism and Pharmacokinetics Analysis Platform.
Article in Journal of medicinal chemistry, 2023. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 12 papers.
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Who cites it
12 citing papers in PubMed.
- First structural Elucidation of Bcl-2 functional conversion induced by validated modulators using microsecond-scale molecular dynamics simulations and density functional theory.Molecular diversity · 2026Article
- Nanoparticles synthesis, properties and promising devices for drug delivery systems: a review.Discover nano · 2026Review
- Article
- Eco-friendly synthesis of an antimicrobial polymer (1,4-bis(methacryloyl)piperazine) via maghnite catalysis:Frontiers in chemistry · 2026Article
- First multifaceted ADME profile of ACP-105 (CAS: 1048998-11-3): a novel non-steroidal selective androgen receptor modulator used as doping in sports-integrative in silico toxicological studies for clinical and forensic toxicology purposes.Archives of toxicology · 2025Article
- Improving ADME Prediction with Multitask Graph Neural Networks and Assessing Explainability in Lead Optimization.Journal of chemical information and modeling · 2025Article
- kMoL: an open-source machine and federated learning library for drug discovery.Journal of cheminformatics · 2025Article
- Prediction of human pharmacokinetic parameters incorporating SMILES information.Archives of pharmacal research · 2024Article
- Machine Learning ADME Models in Practice: Four Guidelines from a Successful Lead Optimization Case Study.ACS medicinal chemistry letters · 2024Article
- Effect of chronic administration of ostruthin on depression-like behavior in chronically stressed mice.IBRO neuroscience reports · 2024Article
- Discovery of pyrazolopyrimidines that selectively inhibit CSF-1R kinase by iterative design, synthesis and screening against glioblastoma cells.RSC medicinal chemistry · 2023Article
- The Trends and Future Prospective of In Silico Models from the Viewpoint of ADME Evaluation in Drug Discovery.Pharmaceutics · 2023Review
Corrections and comments
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Authors and funding
9 authors.
Funding
No grant is acknowledged in the PubMed record.
Abstract
We developed a novel drug metabolism and pharmacokinetics (DMPK) analysis platform named DruMAP. This platform consists of a database for DMPK parameters and programs that can predict many DMPK parameters based on the chemical structure of a compound. The DruMAP database includes curated DMPK parameters from public sources and in-house experimental data obtained under standardized conditions; it also stores predicted DMPK parameters produced by our prediction programs. Users can predict several DMPK parameters simultaneously for novel compounds not found in the database. Furthermore, the highly flexible search system enables users to search for compounds as they desire. The current version of DruMAP comprises more than 30,000 chemical compounds, about 40,000 activity values (collected from public databases and in-house data), and about 600,000 predicted values. Our platform provides a simple tool for searching and predicting DMPK parameters and is expected to contribute to the acceleration of new drug development. DruMAP can be freely accessed at: https://drumap.nibiohn.go.jp/.
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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.