ReviewInternational journal of pharmaceutics2018
Computational prediction of drug solubility in water-based systems: Qualitative and quantitative approaches used in the current drug discovery and development setting.
Review in International journal of pharmaceutics, 2018. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 69 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.
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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
69 citing papers in PubMed.
- Deciphering Molecular and Solvent Effects on Aqueous and Organic Solubility through Interpretable Machine Learning Approaches.ACS omega · 2026Article
- Glycosides in Meliaceae and Rutaceae sources: phytochemistry and pharmacological activities.Archives of pharmacal research · 2026Review
- Virtual Screening of Marine Natural Products Targeting the F Protein for Anti-RSV Drug Discovery.International journal of molecular sciences · 2026Article
- Computational Evaluation of Potential c-Abl Kinase Inhibitors for Parkinson's Disease: QSAR, Docking, Bioisosteric Replacement, ADMET, and MD Simulations.Applied biochemistry and biotechnology · 2025Article
- Physics-Based Solubility Prediction for Organic Molecules.Chemical reviews · 2025Review
- Antimicrobial Properties of Thermally Processed Oyster Shell Powder for Use as Calcium Supplement.Foods (Basel, Switzerland) · 2025Article
- Green synthesis,Future medicinal chemistry · 2025Article
- Dynamics understanding of novel solvated drug molecules against emergingResults in chemistry · 2025Article
- Synthesis,Future medicinal chemistry · 2025Article
- Machine Learning-Based Prediction of Drug Solubility in Lipidic Environments: The Sol_ME Tool for Optimizing Lipid-Based Formulations with a Preliminary Apalutamide Case Study.AAPS PharmSciTech · 2025Article
- The Anti-leukemic Activities of Campesterol and Α-Tocopherol Against BCL-2 Target through Computational Drug Design Approaches.Current topics in medicinal chemistry · 2025Article
- Prediction of metabolism and solubility of tablet-form drugs according to the biopharmaceutical drug disposition classification system.ADMET & DMPK · 2025Article
- Multi-scale computational modeling to identify novel chemical scaffolds as trehalose-6-phosphate phosphatase inhibitors to combatIn silico pharmacology · 2025Article
- Discovering broad-spectrum inhibitors for SARS-CoV-2 variants: a cheminformatics and biophysical approach targeting the main protease.Frontiers in pharmacology · 2025Article
- Optimized cutaneous delivery of anti-wrinkle dipeptide KT via molecular modification: Preformulation, permeation, and the importance of conjugate chain length.BioImpacts : BI · 2025Article
- Article
- Effect of Data Quality and Data Quantity on the Estimation of Intrinsic Solubility: Analysis Based on a Single-Source Data Set.Molecular pharmaceutics · 2024Article
- Multivariate Analysis of Solubility Parameters for Drug-Polymer Miscibility Assessment in Preparing Raloxifene Hydrochloride Amorphous Solid Dispersions.AAPS PharmSciTech · 2024Article
- Targeting XGHPRT enzyme to manageSaudi journal of biological sciences · 2024Article
- Designing solvent systems using self-evolving solubility databases and graph neural networks.Chemical science · 2024Article
9 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
2 authors.
Funding
No grant is acknowledged in the PubMed record.
Abstract
In this review we will discuss recent advances in computational prediction of solubility in water-based solvents. Our focus is set on recent advances in predictions of biorelevant solubility in media mimicking the human intestinal fluids and on new methods to predict the thermodynamic cycle rather than prediction of solubility in pure water through quantitative structure property relationships (QSPR). While the literature is rich in QSPR models for both solubility and melting point, a physicochemical property strongly linked to the solubility, recent advances in the modelling of these properties make use of theory and computational simulations to better predict these properties or processes involved therein (e.g. solid state crystal lattice packing, dissociation of molecules from the lattice and solvation). This review serves to provide an update on these new approaches and how they can be used to more accurately predict solubility, and also importantly, inform us on molecular interactions and processes occurring during drug dissolution and solubilisation.
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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.