Inchikey号
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 ... WebInChI is a structure-based chemical identifier, originally developed by IUPAC. As a standard identifier for chemical databases, InChI is essential for enabling effective information …
Inchikey号
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WebMay 3, 2024 · 代谢物常见的ID号有好几种,今天和大家一起来整理一下代谢物常见的ID号。首先我们列一个清单(使用频率较高的代谢物ID):CAS Registry NumberKEGG IDPubchem CIDHMDB IDSMILESInChIInChIKey01CAS Registry NumberCAS Registry Number是我们向供应商采购代谢物的关键依据(以保障买到正确的代谢物)。 http://inchi.info/keychecker_en.html
WebMay 3, 2024 · 代谢物常见的ID号有好几种,今天和大家一起来整理一下代谢物常见的ID号。首先我们列一个清单(使用频率较高的代谢物ID):CAS Registry NumberKEGG … 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 …
WebThe InChIKey has been designed so that Internet search engines (such as Google, Yahoo, Bing, etc.) can search and find the links to a given InChI. To make the InChIKey the InChI string is subjected to a compression algorithm to create a fixed-length string of upper-case characters. While the InChI to InChIKey hash compression is irreversible ... 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 ...
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 …
Webinchi是数据库中其他化合物标识符(例如,系统和普通名称,注册号和smiles(12)的各种版本)的有价值的补充,并且它并不是想要,也不应该替代已经存在的任何标识符。随着iso … hand position on the steering wheelWebOur Detroit family can be reached through the following contact information: 313-723-1493. [email protected]. hand position on a steering wheelWebCAS号: 500-22-1 英文名称: 3-Pyridinecarboxaldehyde 英文同义词: Rowalind;NSC ... 500-22-1 ,CAS.cool hand position in golf downswingWebDec 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 … business card cleaning servicesWebChemicalBook 提供有关八氯化萘(2234-13-1)傅里叶红外光谱图的核磁图,红外图谱,Raman光谱,质谱等图谱 business card computer repairWebInChIKey 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 … business card cover stock versus super matteWebInChIKey: 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, … hand position top of backswing