"InChI" is the abbreviated form of "IUPAC International Chemical Identifier". The pronunciation of the first syllable "In" is /ɪn/ as in "insect" or "intrude". The second syllable "ChI" is pronounced /kiː/ with a long "ee" sound like in "key". This abbreviation is commonly used to reference chemical compounds and their molecular structures in scientific literature. It provides a unique and standardized way of representing chemical information which can be shared and searched by researchers worldwide.
The International Chemical Identifier, commonly referred to as InChI, is a unique alphanumeric identifier used to represent chemical substances. It provides a standardized and machine-readable format that allows for the unambiguous recognition and exchange of chemical information.
InChI is designed to overcome the limitations of traditional chemical nomenclature systems, such as Chemical Abstracts Service (CAS) registry numbers or International Union of Pure and Applied Chemistry (IUPAC) names, which are often complex and lack consistency. It encodes the molecular structure of a compound into a string of characters using a hierarchical numbering system.
The InChI string consists of several sections, including the connectivity layer, which represents the bonding between atoms, the chemical formula layer, which describes the elemental composition, and the stereochemical layer, which conveys the spatial arrangement of atoms in three dimensions.
By employing a unique identification code for each distinct compound, InChI facilitates efficient data exchange, retrieval, and integration of chemical information across various databases and platforms. It also enables the linking of chemical structures to associated data, such as biological activities, physical properties, and toxicological information.
InChI has become a widely accepted standard notation for chemical structures in scientific publications, chemical databases, and computational tools. Its adoption has greatly enhanced the interoperability and accuracy of chemical information, supporting various applications in drug discovery, chemical informatics, and molecular modeling.
The word "InChI" stands for "International Chemical Identifier". The etymology of this word can be understood as follows:
1. International: The term "International" indicates that InChI is a globally recognized and accepted identifier for chemical substances. It implies that InChI is a standardized system applicable worldwide.
2. Chemical: The term "Chemical" refers to the fact that InChI is primarily used for identifying chemical compounds. It emphasizes that InChI is specifically designed to represent and identify chemical structures.
3. Identifier: The term "Identifier" indicates that InChI is a type of unique code or identifier assigned to each chemical structure. It serves the purpose of enabling easy and unambiguous identification of chemical substances.
Therefore, the etymology of the word "InChI" reflects the key attributes and purpose of this internationally recognized system.