WebDrugBank displays this information in the "Identification" section of the drug entry. InChI and the InChI key are displayed adjacently, allowing the user to take note of the difference between the two identifiers 3 . As seen in the attached image 3, the InChI key for theobromine is much shorter and easier to read than the InChi 3. WebDec 20, 2012 · InChIKey is a 27-character compacted (hashed) version of InChI which is intended for Internet and database searching/indexing and is based on an SHA-256 hash of the InChI character string. The first block of InChIKey encodes molecular skeleton while the second block represents various kinds of isomerism (stereo, tautomeric, etc.).
IUPAC故事STORY0.1:InChI究竟是什么? - 知乎 - 知乎专栏
WebMay 7, 2024 · To address this issue, the InChIKey was introduced for Internet and database searching/indexing. It is a 27-character string derived from InChI, using a hashing algorithm. Hashing is a one-way mathematical transformation typically used to calculate a compact fixed length digital representation of a much longer string of arbitrary length. WebThis service works as a resolver for different chemical structure identifiers and allows one to convert a given structure identifier into another representation or structure identifier. It can help you identify and find the chemical structure if … locksmith kits for cars
InChI Trust – InChI: open-source chemical structure representation
WebDec 15, 2024 · The IUPAC International Chemical Identifier (InChI TM) is a non-proprietary identifier for chemical substances that can be used in printed and electronic data sources thus enabling easier linking of diverse data compilations.It was developed under IUPAC Project 2000-025-1-800 during the period 2000-2004. Details of the project and the history … Web剩下的两个字符表示原始InChI是否为标准InChI以及InChI软件的版本号。InChIKey的最后一个字符是指示(去)质子化状态的字符。 例如,下面提供的结构、InChI和InChIKey用于沙海葵毒素,说明了为什么散列InChIKey是在internet上搜索结构最实用和最简单的方法。 The condensed, 27 character InChIKey is a hashed version of the full InChI (using the SHA-256 algorithm), designed to allow for easy web searches of chemical compounds. The standard InChIKey is the hashed counterpart of standard InChI. Most chemical structures on the Web up to 2007 have been represented as GIF files, which are not searchable for chemical content. The full InChI turne… locksmith knysna