ArticleJournal of computer-aided molecular design2010
Tautomerism in drug discovery.
Article in Journal of computer-aided molecular design, 2010. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 36 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.
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Who cites it
36 citing papers in PubMed.
- Linking Enol-Keto Tautomerization Ratios in β‑Diketones to Their Physical Properties Using Computational Quantum Chemistry.ACS omega · 2026Article
- Mechanistic Insights into Molecular Modifiers That Promote Urate Crystallization through Solute Assembly Regulation.JACS Au · 2026Article
- Spectroscopic, X-Ray Crystallographic, and Hirshfeld Surface Analyses for the Investigation of Intermolecular Interactions in Carboxamide Hydrazone Hybrids.ChemistryOpen · 2025Article
- Cross-Conjugated Polymer Semiconductors.Macromolecular rapid communications · 2025Review
- Solvent polarity effect on photophysical properties of some aromatic azo dyes with focus on tautomeric and toxicity competition.Scientific reports · 2025Article
- Synthesis and Structure of Novel Hybrid Compounds Containing Phthalazin-1(2International journal of molecular sciences · 2024Article
- Multistate Method to Efficiently Account for Tautomerism and Protonation in Alchemical Free-Energy Calculations.Journal of chemical theory and computation · 2024Article
- Antiradical and Antioxidant Activity of Compounds Containing 1,3-Dicarbonyl Moiety: An Overview.Molecules (Basel, Switzerland) · 2023Review
- On Integral INICS Aromaticity of Pyridodiazepine Constitutional Isomers and Tautomers.Molecules (Basel, Switzerland) · 2023Article
- Favipiravir-Tautomeric and Complexation Properties in Solution.Pharmaceuticals (Basel, Switzerland) · 2022Article
- Isoindolin-1-ones Fused to Barbiturates: From Design and Molecular Docking to Synthesis and Urease Inhibitory Evaluation.ACS omega · 2022Article
- canSAR chemistry registration and standardization pipeline.Journal of cheminformatics · 2022Article
- Design, Cytotoxicity and Antiproliferative Activity of 4-Amino-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylates against MFC-7 and MDA-MB-231 Breast Cancer Cell Lines.Molecules (Basel, Switzerland) · 2022Article
- Two Tautomers of Thiobarbituric Acid in One Crystal: The Experimental Charge Density Perspective.Materials (Basel, Switzerland) · 2021Article
- Structural Studies of β-Diketones and Their Implications on Biological Effects.Pharmaceuticals (Basel, Switzerland) · 2021Review
- Fitting quantum machine learning potentials to experimental free energy data: predicting tautomer ratios in solution.Chemical science · 2021Article
- Investigation of tautomerism of 1,3,5-triazine derivative, stability, and acidity of its tautomers from density functional theory.Journal of molecular modeling · 2021Article
- Pattern-free generation and quantum mechanical scoring of ring-chain tautomers.Journal of computer-aided molecular design · 2021Article
- When biomolecules meet 2-hydrazinopyrazine: from theory through experiment to molecular levels using a wide spectrum of techniques.RSC advances · 2020Article
- Theoretical study of the geometric and electronic characterization of carbendazim-based drug (Nocodazole).Heliyon · 2020Article
Corrections and comments
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Authors and funding
4 authors.
Funding
No grant is acknowledged in the PubMed record.
Abstract
The influence of tautomerism on the precise structure of drugs and thus of their potential to interact with biological systems is discussed from thermodynamic and kinetic aspects. The types of tautomerism encountered in the structure of drugs in current use are surveyed together with the effect of pH, solvent polarity, and temperature.
Indexed as
Identifiers
20490619What 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.