Inchikey号

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August undefined, 2024

WebCAS号: 500-22-1 英文名称: 3-Pyridinecarboxaldehyde 英文同义词: Rowalind;NSC ... 500-22-1 ,CAS.cool 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.). InChIKey is …

IUPAC Identifier Search - NIST

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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 … WebJul 5, 2015 · The InChIKey is a character signature based on a hash code of the InChI string. A hash code is a fixed length condensed digital representation of a variable length … WebMay 13, 2015 · 目前支持结构式、iupac名称、分子式、cas号、inchl key、数字标识cid、smiles等多种方式进行搜索。为了方便大家使用，化合物百科模块已经加添加 … bws barcardi spiced

International Chemical Identifier - Wikipedia

3-Bromobicyclo[1,1,1]pentane-1-carbonitrile

WebFeb 20, 2024 · Summary: Metabolomic publications and databases use different database identifiers or even trivial names which disable queries across databases or between studies. The best way to annotate metabolites is by chemical structures, encoded by the International Chemical Identifier code (InChI) or InChIKey. We have implemented a web … WebPubChem 检索可得到的结果包含了分子式、SMILES、2D和3D结构、InChI和InChIKey、相对分子质量、脂水分配系数、氢键受体和供体数目、可旋转键数目、互变异构体数目等基本的结构信息和物化性质，除此以外，还有该化合物作为药物的剂型和商品信息、药理性质、毒性、生物活性检测等信息，并通过文献 ... c fd_clrWebMay 8, 2024 · 0x25 LEFT ARROW 键. 0x26 UP ARROW 键. 0x27 RIGHT ARROW 键. 0x28 DOWN ARROW 键. 0x29 SELECT 键. 0x2A PRINT SCREEN 键. 0x2B EXECUTE 键. 0x2C … cfd auction results round 2

"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.). " - Inchikey号

Inchikey号

WebInChIKey is a fixed-length format directly derived from InChI. It is based on a strong hash (SHA-256 algorithm) of an InChI string. Because of the hash nature of the InChIKey, there … 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。

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WebInChIKey: InChIKey string list. SMILES: SMILES string list. Synonyms: Synonym string list. The input list can be provided by text, a file, or Entrez history. Registry IDs, SIDs, CIDs, … Web单引号双引号如何输入在键盘哪里哪个按键。今天使用Excel进行处理数据，在使用文本的时候可以使用单引号加数字直接变成文本的方式，不过，自己由于长时间不使用突然找不到 …

WebThe InChIKey is a fixed length (27 character) condensed digital representation of the InChI that is not designed to be human-understandable. InChI is a structure-based identifier, strictly unique, and non-proprietary, open source and freely accessible. InChIKey is a hashed version of InChI which allows for a compact representation and for ... http://www.cnreagent.com/s/sv199759.html

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 … WebJan 24, 2013 · Since its public introduction in 2005 the IUPAC InChI chemical structure identifier standard has become the international, worldwide standard for defined chemical structures. This article will describe the extensive use and dissemination of the InChI and InChIKey structure representations by and for the world-wide chemistry community, the …

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Webcas号涵盖从1957年至今的科学文献中确定的物质，其他物质可追溯到20世纪初。它也称CAS编号(CAS Registry Number，或称CAS Number，CAS Rn，CAS #)，又称CAS登录号或CAS登记号码，是某种物质(化合物、高分子材料、生物序列(Biological sequences)、混合物或合金)的唯一的数字识别 ... bws bayswater vicWebAug 11, 2024 · The hash function generates a standard key of 27 characters that stores information in four parts (see figure 5). The InChIKey may be a standard or nonstandard key as indicated by the version, but all keys are of the same length and format. Figure $\PageIndex{5}$: InChI key for 2-(35 Cl)chloro-R-glycine (molecule in figure 1). bws beecroftWebThis form allows searching on IUPAC International Chemical Identifiers (InChI) and standard InChI hashes (InChIKey). Please follow the steps below to conduct your search (Help) : … cfd checkWebAs reported variously last month (see here for one such review) IUPAC have now released a new (1.02beta) version of their software which allows hashed versions (fixed length 25-character) of the InChI, so-called InChIKey’s, to be generated which are much more search engine friendly. Compare a regular InChI identifier: InChI=1/C49H70N14O11/c1 ... cfdc district heights mdThe 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… bws beechworth driveWebMay 30, 2015 · As a result, the first InChIKey block is always the same for the same molecular skeleton. All isotopic substitutions, changes in stereoconfiguration, tautomeric state and coordination bonding are reflected in the second block. InChIKey inherits the Standard or non-standard nature of the parent InChI (signified by a dedicated flag … bws bearingWeb15 NIGHT GREENLAND CRUISE. Departs From Boston, Massachusetts. Onboard Grandeur of the Seas. From USD*. $ 1,401. view 1 date. 4 NIGHT CANADA CRUISE. Departs From … bws bb