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The similarity-based [4] virtual screening (a kind of ligand-based virtual screening) assumes that all compounds in a database that are similar to a query compound have similar biological activity. Although this hypothesis is not always valid, [ 5 ] quite often the set of retrieved compounds is considerably enriched with actives. [ 6 ]
It is a graphical plot of nE° = −ΔG°/F as a function of the oxidation number for the different redox species of a given element. The Gibbs free energy Δ G ° is related to the reduction potential E ° by the formula: Δ G ° = − nFE ° or nE ° = −Δ G °/ F , where n is the number of transferred electrons, and F is the Faraday ...
A homologue (also spelled as homolog) is a compound belonging to a homologous series. [1] Compounds within a homologous series typically have a fixed set of functional groups that gives them similar chemical and physical properties. (For example, the series of primary straight-chained alcohols has a hydroxyl at the end of the carbon chain ...
Li is the only group 1 element which forms a stable nitride, Li 3 N. [4] Mg, as well as other group 2 elements, also form nitrides. [4] Lithium carbonate, phosphate and fluoride are sparingly soluble in water. The corresponding group 2 salts are insoluble. (Think lattice and solvation energies). Both Li and Mg form covalent organometallic compounds
A structural analog, also known as a chemical analog or simply an analog, is a compound having a structure similar to that of another compound, but differing from it in respect to a certain component. [1] [2] [3] It can differ in one or more atoms, functional groups, or substructures, which are replaced with other atoms, groups, or ...
In the f-block and p-block of the periodic table, elements within the same period generally do not exhibit trends and similarities in properties (vertical trends down groups are more significant). However, in the d-block, trends across periods become significant, and in the f-block elements show a high degree of similarity across periods.
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