Quantitative Structure-Activity Relationship
"Quantitative Structure-Activity Relationship" is a descriptor in the National Library of Medicine's controlled vocabulary thesaurus,
MeSH (Medical Subject Headings). Descriptors are arranged in a hierarchical structure,
which enables searching at various levels of specificity.
A quantitative prediction of the biological, ecotoxicological or pharmaceutical activity of a molecule. It is based upon structure and activity information gathered from a series of similar compounds.
| Descriptor ID |
D021281
|
| MeSH Number(s) |
G02.111.830.500 G07.690.773.997.500
|
| Concept/Terms |
Quantitative Structure-Activity Relationship- Quantitative Structure-Activity Relationship
- Quantitative Structure Activity Relationship
- Quantitative Structure-Activity Relationships
- Relationship, Quantitative Structure-Activity
- Relationships, Quantitative Structure-Activity
- Structure-Activity Relationship, Quantitative
- Structure-Activity Relationships, Quantitative
- Structure Activity Relationship, Quantitative
- QSAR
|
Below are MeSH descriptors whose meaning is more general than "Quantitative Structure-Activity Relationship".
Below are MeSH descriptors whose meaning is more specific than "Quantitative Structure-Activity Relationship".
This graph shows the total number of publications written about "Quantitative Structure-Activity Relationship" by people in this website by year, and whether "Quantitative Structure-Activity Relationship" was a major or minor topic of these publications.
To see the data from this visualization as text,
click here.
| Year | Major Topic | Minor Topic | Total |
|---|
| 2003 | 0 | 1 | 1 |
| 2004 | 0 | 1 | 1 |
| 2005 | 1 | 0 | 1 |
| 2006 | 1 | 0 | 1 |
| 2007 | 2 | 2 | 4 |
| 2008 | 3 | 2 | 5 |
| 2009 | 1 | 3 | 4 |
| 2010 | 6 | 1 | 7 |
| 2011 | 6 | 2 | 8 |
| 2012 | 4 | 4 | 8 |
| 2013 | 6 | 1 | 7 |
| 2014 | 5 | 4 | 9 |
| 2015 | 1 | 3 | 4 |
| 2016 | 4 | 2 | 6 |
| 2017 | 1 | 4 | 5 |
| 2018 | 3 | 6 | 9 |
| 2019 | 1 | 6 | 7 |
| 2020 | 1 | 3 | 4 |
| 2021 | 1 | 2 | 3 |
| 2022 | 0 | 2 | 2 |
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Below are the most recent publications written about "Quantitative Structure-Activity Relationship" by people in Profiles.
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Kar S, Pathakoti K, Leszczynska D, Tchounwou PB, Leszczynski J. In vitro and in silico study of mixtures cytotoxicity of metal oxide nanoparticles to Escherichia coli: a mechanistic approach. Nanotoxicology. 2022 06; 16(5):566-579.
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Kumar V, Kar S, De P, Roy K, Leszczynski J. Identification of potential antivirals against 3CLpro enzyme for the treatment of SARS-CoV-2: A multi-step virtual screening study. SAR QSAR Environ Res. 2022 May; 33(5):357-386.
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Roayapalley PK, Dimmock JR, Contreras L, Balderrama KS, Aguilera RJ, Sakagami H, Amano S, Sharma RK, Das U. Design, Synthesis and Tumour-Selective Toxicity of Novel 1-[3-{3,5-Bis(benzylidene)-4-oxo-1-piperidino}-3-oxopropyl]-4-piperidone Oximes and Related Quaternary Ammonium Salts. Molecules. 2021 Nov 25; 26(23).
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Toropova AP, Toropov AA, Leszczynska D, Leszczynski J. Application of quasi-SMILES to the model of gold-nanoparticles uptake in A549?cells. Comput Biol Med. 2021 09; 136:104720.
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Toropova AP, Toropov AA, Leszczynski J, Sizochenko N. Using quasi-SMILES for the predictive modeling of the safety of 574 metal oxide nanoparticles measured in different experimental conditions. Environ Toxicol Pharmacol. 2021 Aug; 86:103665.
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Toropova AP, Toropov AA, Leszczynska D, Leszczynski J. How the CORAL software can be used to select compounds for efficient treatment of neurodegenerative diseases? Toxicol Appl Pharmacol. 2020 12 01; 408:115276.
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Toropov AA, Toropova AP, Veselinovic AM, Leszczynska D, Leszczynski J. SARS-CoV Mpro inhibitory activity of aromatic disulfide compounds: QSAR model. J Biomol Struct Dyn. 2022 02; 40(2):780-786.
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Spiegel M, Kapusta K, Kolodziejczyk W, Saloni J, Zbikowska B, Hill GA, Sroka Z. Antioxidant Activity of Selected Phenolic Acids-Ferric Reducing Antioxidant Power Assay and QSAR Analysis of the Structural Features. Molecules. 2020 Jul 07; 25(13).
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Kar S, Leszczynski J. Is intraspecies QSTR model answer to toxicity data gap filling: Ecotoxicity modeling of chemicals to avian species. Sci Total Environ. 2020 Oct 10; 738:139858.
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Sizochenko N, Syzochenko M, Fjodorova N, Rasulev B, Leszczynski J. Evaluating genotoxicity of metal oxide nanoparticles: Application of advanced supervised and unsupervised machine learning techniques. Ecotoxicol Environ Saf. 2019 Dec 15; 185:109733.