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The International Chemical Identifier (InChI, pronounced / ˈ ɪ n tʃ iː / IN-chee) [3] is a textual identifier for chemical substances, designed to provide a standard way to encode molecular information and to facilitate the search for such information in databases and on the web.
LUCY is an open-source structure elucidation method based on the HMBC data of unknown molecules, [16] and involves an exhaustive 2-step structure generation process where first all combinations of interpretations of HMBC signals are implemented in a connectivity matrix, which is then completed by a deterministic generator filling in missing ...
A character encoding form (CEF) is the mapping of code points to code units to facilitate storage in a system that represents numbers as bit sequences of fixed length (i.e. practically any computer system). For example, a system that stores numeric information in 16-bit units can only directly represent code points 0 to 65,535 in each unit, but ...
Fig. 2 DNA-encoded library by ‘DNA-templated synthesis’A library of oligonucleotides (i.e. 64 different oligonucleotides) containing three coding regions was hybridized to a library of reagent compound-oligonucleotide conjugates (i.e. 4 reagent oligonucleotide conjugates), able of pairing with the initial coding domain of the template ...
For cyclic systems: Identification of the parent cyclic ring. The cyclic system must obey these rules, in order of precedence: It should have the most senior heteroatom (in order: N, O, S, P, Si, B). It should have the maximum number of rings. It should have the maximum number of atoms. It should have the maximum number of heteroatoms.
An elimination reaction is a type of organic reaction in which two substituents are removed from a molecule in either a one- or two-step mechanism. [2] The one-step mechanism is known as the E2 reaction, and the two-step mechanism is known as the E1 reaction. The numbers refer not to the number of steps in the mechanism, but rather to the ...
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It is an eight-bit character encoding, developed separately from the seven-bit ASCII encoding scheme. It was created to extend the existing Binary-Coded Decimal (BCD) Interchange Code, or BCDIC, which itself was devised as an efficient means of encoding the two zone and number punches on punched cards into six bits. The distinct encoding of 's ...