Quantitative structure–activity relationship models (QSAR models) are regression or classification models used in the chemical and biological sciences...
43 KB (4,323 words) - 15:18, 19 May 2024
mathematical relationships between the chemical structure and the biological activity, known as quantitative structure–activity relationships (QSAR). A related...
5 KB (528 words) - 06:32, 7 April 2024
calculation of quantitative structure–activity relationship and quantitative structure property relationship values, used to predict the activity of compounds...
13 KB (1,271 words) - 21:46, 30 June 2024
a set of known active and known inactive compounds. SAR's (Structure Activity Relationship) where data is treated qualitatively and can be used with structural...
33 KB (3,902 words) - 04:44, 15 July 2024
attached to planar aromatic structures. Heterocyclic nitrogen atom is an important factor for NSAIs structure-activity relationship as it interacts with heme...
31 KB (3,675 words) - 04:23, 27 September 2023
Maskell PD, Haegeman C, Haider S (May 2018). "The use of a quantitative structure-activity relationship (QSAR) model to predict GABA-A receptor binding of newly...
108 KB (3,088 words) - 07:42, 22 July 2024
to the second carbon atom in a pentane chain. Using a quantitative structure-activity relationship (QSAR) prediction model, 2-Methylpentane has a research...
4 KB (168 words) - 07:32, 21 February 2024
proposal).[citation needed] Example: Development of quantitative structure-activity relationship (QSARs) for biodegradation, for instance, biochemical...
2 KB (172 words) - 18:00, 20 July 2017
Chemical structure Lipinski's rule of five, describing molecular properties of drugs Molecular property Physical property QSAR, quantitative structure-activity...
5 KB (604 words) - 02:36, 28 June 2024
Plazzi, Pier Vincenzo (2003-04-01). "Three-Dimensional Quantitative Structure−Activity Relationship Studies on Selected MT 1 and MT 2 Melatonin Receptor...
29 KB (2,894 words) - 16:33, 30 June 2024