ArticleACS medicinal chemistry letters2018
Data Sets Representative of the Structures and Experimental Properties of FDA-Approved Drugs.
Article in ACS medicinal chemistry letters, 2018. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 22 papers.
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
22 citing papers in PubMed.
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- Has pharmaceutical innovation reduced the average cost of U.S. health care episodes?International journal of health economics and management · 2024Article
- Currently Used Methods to Evaluate the Efficacy of Therapeutic Drugs and Kidney Safety.Biomolecules · 2023Review
- A perspective on the sharing of docking data.Data in brief · 2023Article
- Computational model for lipid binding regions in phospholipase (Ves a 1) from Vespa venom.Scientific reports · 2023Article
- Recent Studies of Artificial Intelligence on In Silico Drug Distribution Prediction.International journal of molecular sciences · 2023Review
- Drug repurposing screens to identify potential drugs for chronic kidney disease by targeting prostaglandin E2 receptor.Computational and structural biotechnology journal · 2023Article
- A journey from molecule to physiology andFrontiers in pharmacology · 2023Review
- Targeting the BspC-vimentin interaction to develop anti-virulence therapies during Group B streptococcal meningitis.PLoS pathogens · 2022Article
- Understanding COVID-19 Pathogenesis: A Drug-Repurposing Effort to Disrupt Nsp-1 Binding to Export Machinery Receptor Complex.Pathogens (Basel, Switzerland) · 2021Article
- 3D-ALMOND-QSAR Models to Predict the Antidepressant Effect of Some Natural Compounds.Pharmaceutics · 2021Article
- Repurposing of approved drugs with potential to interact with SARS-CoV-2 receptor.Biochemistry and biophysics reports · 2021Article
- Drug design and repurposing with DockThor-VS web server focusing on SARS-CoV-2 therapeutic targets and their non-synonym variants.Scientific reports · 2021Article
- Chemoinformatic Analysis of Psychotropic and Antihistaminic Drugs in the Light of Experimental Anti-SARS-CoV-2 Activities.Advances and applications in bioinformatics and chemistry : AABC · 2021Article
- Structure-based drug repositioning over the human TMPRSS2 protease domain: search for chemical probes able to repress SARS-CoV-2 Spike protein cleavages.European journal of pharmaceutical sciences : official journal of the European Federation for Pharmaceutical Sciences · 2020Article
- Advancing computer-aided drug discovery (CADD) by big data and data-driven machine learning modeling.Drug discovery today · 2020Review
- A database of battery materials auto-generated using ChemDataExtractor.Scientific data · 2020Article
- Prediction of Novel Inhibitors of the Main Protease (M-pro) of SARS-CoV-2 through Consensus Docking and Drug Reposition.International journal of molecular sciences · 2020Article
- Artificial Intelligence in Drug Discovery: A Comprehensive Review of Data-driven and Machine Learning Approaches.Biotechnology and bioprocess engineering : BBE · 2020Review
Corrections and comments
PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.
Authors and funding
1 author.
Funding
No grant is acknowledged in the PubMed record.
Abstract
Presented here are several data sets that gather information collected from the labels of the FDA approved drugs: their molecular structures and those of the described active metabolites, their associated pharmacokinetics and pharmacodynamics data, and the history of their marketing authorization by the FDA. To date, 1852 chemical structures have been identified with a molecular weight less than 2000 of which 492 are or have active metabolites. To promote the sharing of data, the original web server was upgraded for browsing the database and downloading the data sets (http://chemoinfo.ipmc.cnrs.fr/edrug3d). It is believed that the multidimensional chemistry-oriented collections are an essential resource for a thorough analysis of the current drug chemical space. The data sets are envisioned as being used in a wide range of endeavors that include drug repurposing, drug design, privileged structures analyses, structure-activity relationship studies, and improving of absorption, distribution, metabolism, and elimination predictive models.
Identifiers
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.