ReviewInternational journal of molecular sciences2009
QSPR studies on aqueous solubilities of drug-like compounds.
Review in International journal of molecular sciences, 2009. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 16 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
16 citing papers in PubMed.
- Prediction of intrinsic solubility for drug-like organic compounds using automated network optimizer (ANO) for physicochemical feature and hyperparameter optimization.Journal of cheminformatics · 2026Article
- Synthesis, TD-DFT calculations, molecular docking and ADME studies of new spiro-oxindole derivatives containing 5(4H)-oxazolone as anti-viral and anti-bacterial agents.Journal of computer-aided molecular design · 2025Article
- Penicillium-Derived Inhibitors ofScientifica · 2025Article
- Predicting small molecules solubility on endpoint devices using deep ensemble neural networks.Digital discovery · 2024Article
- Will we ever be able to accurately predict solubility?Scientific data · 2024Article
- QSPR analysis of distance-based structural indices for drug compounds in tuberculosis treatment.Heliyon · 2024Article
- Prediction of organic compound aqueous solubility using machine learning: a comparison study of descriptor-based and fingerprints-based models.Journal of cheminformatics · 2023Article
- Unsymmetrical aromatic disulfides as SARS-CoV-2 Mpro inhibitors: Molecular docking, molecular dynamics, and ADME scoring investigations.Journal of King Saud University. Science · 2022Article
- Novel Solubility Prediction Models: Molecular Fingerprints and Physicochemical Features vs Graph Convolutional Neural Networks.ACS omega · 2022Article
- Generation of new inhibitors of selected cytochrome P450 subtypes-Computational and structural biotechnology journal · 2022Article
- Network pharmacology and in silico pharmacokinetic prediction of Ozanimod in the management of ulcerative colitis: A computational study.Health science reports · 2022Article
- Machine learning with physicochemical relationships: solubility prediction in organic solvents and water.Nature communications · 2020Article
- Alkoxy and Enediyne Derivatives Containing 1,4-Benzoquinone Subunits-Synthesis and Antitumor Activity.Molecules (Basel, Switzerland) · 2017Article
- Synthesis and Determination of Physicochemical Properties of New 3-(4-Arylpiperazin-1-yl)-2-hydroxypropyl 4-Alkoxyethoxybenzoates.Molecules (Basel, Switzerland) · 2016Article
- BioPPSy: An Open-Source Platform for QSAR/QSPR Analysis.PloS one · 2016Article
- [COMMODE] a large-scale database of molecular descriptors using compounds from PubChem.Source code for biology and medicine · 2013Article
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
A rapidly growing area of modern pharmaceutical research is the prediction of aqueous solubility of drug-sized compounds from their molecular structures. There exist many different reasons for considering this physico-chemical property as a key parameter: the design of novel entities with adequate aqueous solubility brings many advantages to preclinical and clinical research and development, allowing improvement of the Absorption, Distribution, Metabolization, and Elimination/Toxicity profile and "screenability" of drug candidates in High Throughput Screening techniques. This work compiles recent QSPR linear models established by our research group devoted to the quantification of aqueous solubilities and their comparison to previous research on the topic.
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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.