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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 ]
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 ...
A chemical element, often simply called an element, is a type of atom which has a specific number of protons in its atomic nucleus (i.e., a specific atomic number, or Z). [ 1 ] The definitive visualisation of all 118 elements is the periodic table of the elements , whose history along the principles of the periodic law was one of the founding ...
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.
They considered elements 158 through 164 to be homologues of groups 4 through 10, and not 6 through 12, noting similarities of electron configurations to the period 5 transition metals (e.g. element 159 7d 4 9s 1 vs Nb 4d 4 5s 1, element 160 7d 5 9s 1 vs Mo 4d 5 5s 1, element 162 7d 7 9s 1 vs Ru 4d 7 5s 1, element 163 7d 8 9s 1 vs Rh 4d 8 5s 1 ...
A period 5 element is one of the chemical elements in the fifth row (or period) of the periodic table of the chemical elements.The periodic table is laid out in rows to illustrate recurring (periodic) trends in the chemical behaviour of the elements as their atomic number increases: a new row is begun when chemical behaviour begins to repeat, meaning that elements with similar behaviour fall ...
Diamond and graphite are two allotropes of carbon: pure forms of the same element that differ in crystalline structure.. Allotropy or allotropism (from Ancient Greek ἄλλος (allos) 'other' and τρόπος (tropos) 'manner, form') is the property of some chemical elements to exist in two or more different forms, in the same physical state, known as allotropes of the elements.
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 ...
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