ReviewMolecules (Basel, Switzerland)2023
Evaluation of Free Online ADMET Tools for Academic or Small Biotech Environments.
Review in Molecules (Basel, Switzerland), 2023. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 97 papers.
What it found
Each row is one number read from the abstract, on the scale the paper reported it, with its interval. Left of the dashed line favours the treatment, right favours the comparator. Under each row is the sentence it came from. New to these charts? A ten-minute tutorial.
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.
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Who cites it
97 citing papers in PubMed.
- In silico discovery of natural compounds from Vietnamese essential oils database with target binding to cancer-related proteins.Molecular diversity · 2026Article
- Artificial intelligence and ultra-high performance computing methods and experiments for drug discovery: virtual screening, deep learning, molecular dynamics simulations, ADMET modelling, and experimental validation.Molecular biomedicine · 2026Review
- Extraction, Phytochemical Profiling, and Computational Evaluation ofPharmaceuticals (Basel, Switzerland) · 2026Article
- Antibiofilm and Anti-Hyphal Activities of Halogenated Benzophenones Against Azole-ResistantInternational journal of molecular sciences · 2026Article
- Dual enzymatic inhibition and toxicity profiling of polymethoxylated flavones isolated from Knema malayana.Journal of computer-aided molecular design · 2026Article
- AI-driven computational drug design: tools, workflow and challenges.RSC advances · 2026Review
- Repurposing of Clomiphene Citrate and Its Antileishmanial and Antifungal Activities:Biomolecules · 2026Article
- Biotransformation of Coumarins: Mechanisms and Pharmaceutical Potential.Molecules (Basel, Switzerland) · 2026Review
- Phytochemical Analysis, Antioxidant Activity, and Inhibition of Digestive Enzymes ofMolecules (Basel, Switzerland) · 2026Article
- The design and synthesis of cysteine protease inhibitors containing isoxazole bearing warheads against Leishmania donovani.Naunyn-Schmiedeberg's archives of pharmacology · 2026Article
- ADMETPred: a high-throughput ADMET prediction platform integrating multi-model algorithms and interpretable substructure identification.Science China. Life sciences · 2026Article
- DCPM-ADMET: fusion of dual-component pre-trained model and molecular fingerprints to enhance drug ADMET properties prediction.Journal of cheminformatics · 2026Article
- Molecular docking, DFT analysis, pharmacokinetic profiling and MD simulation of Ilex aquifolium L. flavonoids as potential α-glucosidase predicted inhibitors for diabetes.Scientific reports · 2026Article
- Computational identification of a marine derived dual inhibitor for type 2 diabetes mellitus using integrated in silico approaches.Scientific reports · 2026Article
- GC-MS profiling and antivirulence potential of limonene-rich Citrus medica cv. 'Rugosa' essential oil: in vitro and in silico evaluations.Scientific reports · 2026Article
- Computational Study on Potentially Active Antibacterial Compounds in Secondary Metabolites of Extremophilic Microorganisms.ChemistryOpen · 2026Article
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- Metabolomic Study of 7-Ethyl-9-(Metabolites · 2026Article
- Unraveling Network Pharmacology-Based Therapeutics of Anthranilate Sulfonamides via Sirtuins/FOXO3a Cascade in Alzheimer's Disease.Journal of neurochemistry · 2026Article
37 more citing papers are in PubMed but not listed here.
Corrections and comments
PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.
Authors and funding
4 authors.
Funding
Abstract
For a new molecular entity (NME) to become a drug, it is not only essential to have the right biological activity also be safe and efficient, but it is also required to have a favorable pharmacokinetic profile including toxicity (ADMET). Consequently, there is a need to predict, during the early stages of development, the ADMET properties to increase the success rate of compounds reaching the lead optimization process. Since Lipinski's rule of five, the prediction of pharmacokinetic parameters has evolved towards the current in silico tools based on empirical approaches or molecular modeling. The commercial specialized software for performing such predictions, which is usually costly, is, in many cases, not among the possibilities for research laboratories in academia or at small biotech companies. Nevertheless, in recent years, many free online tools have become available, allowing, more or less accurately, for the prediction of the most relevant pharmacokinetic parameters. This paper studies 18 free web servers capable of predicting ADMET properties and analyzed their advantages and disadvantages, their model-based calculations, and their degree of accuracy by considering the experimental data reported for a set of 24 FDA-approved tyrosine kinase inhibitors (TKIs) as a model of a research project.
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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.