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 |
| 2025 | 0 | 2 | 2 |
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click here.
Below are the most recent publications written about "Quantitative Structure-Activity Relationship" by people in Profiles.
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Sharma S, Singh R, Kant S, Mishra MK. Integrating AI/ML and multi-omics approaches to investigate the role of TNFRSF10A/TRAILR1 and its potential targets in pancreatic cancer. Comput Biol Med. 2025 Jul; 193:110432.
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Toropova AP, Toropov AA, Kudyshkin VO, Leszczynska D, Leszczynski J. Application of monomer structures and fragments of local symmetry for simulation of glass transition temperatures of polymers. SAR QSAR Environ Res. 2025 Jan; 36(1):29-37.
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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).