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Chemical similarity (or molecular similarity) refers to the similarity of chemical elements, molecules or chemical compounds with respect to either structural or functional qualities, i.e. the effect that the chemical compound has on reaction partners in inorganic or biological settings.
Trichloroethyl chloroformate is used in organic synthesis for the introduction of the trichloroethyl chloroformate (Troc) protecting group for amines, thiols and alcohols.It readily cleaves vs other carbamates and can be used in an overall protecting group strategy.
The World Integrated Trade Solution (WITS) is a trade software provided by the World Bank for users to query several international trade databases.. WITS allows the user to query trade statistics (export, import, re-exports and re-imports) from the UN's repository of official international trade statistics and relevant analytical tables (UN COMTRADE), tariff and non-tariff measures data from ...
Chemical formula Synonyms CAS number CAgO carbonylsilver: CCl 2 F 2: dichlorodifluoromethane freon-12: 75-71-8 CCl 4: carbon tetrachloride tetrachloromethane: 56-23-5 C(CN) 4: tetracyanomethane: 24331-09-7 CFCl 3: trichlorofluoromethane freon-11: 75-69-4 CFCl 2 CF 2 Cl: chlorotrifluoromethane freon-13: 75-72-9 CHCl 3: chloroform ...
The invariance properties of molecular descriptors can be defined as the ability of the algorithm for their calculation to give a descriptor value that is independent of the particular characteristics of the molecular representation, such as atom numbering or labeling, spatial reference frame, molecular conformations, etc. Invariance to molecular numbering or labeling is assumed as a minimal ...
An MDL Molfile is a file format for holding information about the atoms, bonds, connectivity and coordinates of a molecule.. The molfile consists of some header information, the Connection Table (CT) containing atom info, then bond connections and types, followed by sections for more complex information.
The Hosoya index is the first topological index recognized in chemical graph theory, and it is often referred to as "the" topological index. [6] Other examples include the Wiener index, Randić's molecular connectivity index, Balaban’s J index, [7] and the TAU descriptors.
The correct format for a Markush structure is "closed." [4] In other words, the claim language defined by the Markush structure requires selection from a closed group. [5] One way of claiming a Markush structure follows the format: “a chemical selected from the group consisting of A, B, and C” where A, B, and C are alternative chemicals. [6]