| − | 组装理论提供了一个量化单个分子结构内在复杂性的框架,其核心思想是:考虑从一组预定义的基本构建模块(例如化学键)出发,构建目标分子所需的最少组装步骤序列——每一步骤都涉及将两个分子亚基连接起来。一条组装路径在形式上表示为一个有向多重图:其中顶点对应分子片段,边对应连接操作;多重边允许相同片段存在不同的组合方式。分子的分子组装指数(MA) 定义为构建该分子的最短可能组装路径的长度(即连接操作的数量),并允许路径中生成的中间片段在后续步骤中复用<ref name=":0" /><ref>Marshall, S.M., Mathis, C., Carrick, E. ''et al.'' Identifying molecules as biosignatures with assembly theory and mass spectrometry. ''Nat Commun'' 12, 3033 (2021). <nowiki>https://doi.org/10.1038/s41467-021-23258-x</nowiki></ref>。 | + | 组装理论提供了一个量化单个分子结构内在复杂性的框架,其核心思想是:考虑从一组预定义的基本构建模块(例如化学键)出发,构建目标分子所需的最少组装步骤序列——每一步骤都涉及将两个分子亚基连接起来。一条组装路径在形式上表示为一个有向多重图:其中顶点对应分子片段,边对应连接操作;多重边允许相同片段存在不同的组合方式。分子的分子组装指数(MA) 定义为构建该分子的最短可能组装路径的长度(即连接操作的数量),并允许路径中生成的中间片段在后续步骤中复用<ref name=":0" /><ref name=":2">Marshall, S.M., Mathis, C., Carrick, E. ''et al.'' Identifying molecules as biosignatures with assembly theory and mass spectrometry. ''Nat Commun'' 12, 3033 (2021). <nowiki>https://doi.org/10.1038/s41467-021-23258-x</nowiki></ref>。 |
| − | <span class="lark-record-clipboard" data-lark-record-format="docx/text" data-lark-record-data="{"rootId":"BCUIdvopvozUxkxOYXDcOioYnEh","text":{"initialAttributedTexts":{"text":{"0":"组装理论"},"attribs":{"0":"*0+4"}},"apool":{"numToAttrib":{"0":["author","7359408791762321412"]},"nextNum":1}},"type":"text","referenceRecordMap":{},"extra":{"channel":"saas","isEqualBlockSelection":false,"pasteRandomId":"8391a78e-e4d2-42b4-be74-2ed57aed4cfa","mention_page_title":{},"external_mention_url":{}},"isKeepQuoteContainer":false,"isFromCode":false,"selection":[{"id":36,"type":"text","selection":{"start":4,"end":8},"recordId":"SXLBd6fJCo2LNnxuC7GcAAWmnOf"}],"payloadMap":{},"isCut":false}"></span>[[文件:A,以分子键为构建模块的二乙基邻苯二甲酸酯分子组装路径图.png|缩略图|588x588像素|以分子键为构建模块的二乙基邻苯二甲酸酯分子组装路径图。该图展示了从不可约构建模块出发,通过8次连接操作(组装指数为8)构建该分子的路径。(<nowiki>https://www.nature.com/articles/s41467-021-23258-x</nowiki>)]] | + | <span class="lark-record-clipboard" data-lark-record-format="docx/text" data-lark-record-data="{"rootId":"BCUIdvopvozUxkxOYXDcOioYnEh","text":{"initialAttributedTexts":{"text":{"0":"组装理论"},"attribs":{"0":"*0+4"}},"apool":{"numToAttrib":{"0":["author","7359408791762321412"]},"nextNum":1}},"type":"text","referenceRecordMap":{},"extra":{"channel":"saas","isEqualBlockSelection":false,"pasteRandomId":"8391a78e-e4d2-42b4-be74-2ed57aed4cfa","mention_page_title":{},"external_mention_url":{}},"isKeepQuoteContainer":false,"isFromCode":false,"selection":[{"id":36,"type":"text","selection":{"start":4,"end":8},"recordId":"SXLBd6fJCo2LNnxuC7GcAAWmnOf"}],"payloadMap":{},"isCut":false}"></span>[[文件:A,以分子键为构建模块的二乙基邻苯二甲酸酯分子组装路径图.png|缩略图|588x588像素|以分子键为构建模块的二乙基邻苯二甲酸酯分子组装路径图。该图展示了从不可约构建模块出发,通过8次连接操作(组装指数为8)构建该分子的路径<ref name=":2" />。]] |