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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 ...
These compounds include unsophisticated phosphorus chalcogenides as well as large molecules with biological roles and phosphorus-chalcogen compounds with metal clusters. These compounds have numerous applications, including organo-phosphate insecticides, strike-anywhere matches and quantum dots. A total of 130,000 compounds with at least one ...
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.
Elements in the same group tend to show similar chemical characteristics. Vertical, horizontal and diagonal trends characterize the periodic table. Metallic character increases going down a group and from right to left across a period. Nonmetallic character increases going from the bottom left of the periodic table to the top right.
All compounds are substances, but not all substances are compounds. A chemical compound can be either atoms bonded together in molecules or crystals in which atoms, molecules or ions form a crystalline lattice. Compounds based primarily on carbon and hydrogen atoms are called organic compounds, and all others are called inorganic compounds.
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Many elements can combine to form heteronuclear diatomic molecules, depending on temperature and pressure. Examples are gases carbon monoxide (CO), nitric oxide (NO), and hydrogen chloride (HCl). Many 1:1 binary compounds are not normally considered diatomic because they are polymeric at room temperature, but they form diatomic molecules when ...
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