https://elated-raman-42e0c2.netlify.app/tags/smiles/Recent content in Smiles on Sawyer Zheng's BlogHugozh-cnFri, 10 Feb 2023 16:53:38 +0800https://elated-raman-42e0c2.netlify.app/post/notes/chemistry/smiles/Sat, 10 Aug 2019 00:00:00 +0000https://elated-raman-42e0c2.netlify.app/post/notes/chemistry/smiles/<div id="outline-container-headline-1" class="outline-2"> <h2 id="headline-1"> 教程 </h2> <div id="outline-text-headline-1" class="outline-text-2"> <div id="outline-container-headline-2" class="outline-3"> <h3 id="headline-2"> daylight tutorial </h3> <div id="outline-text-headline-2" class="outline-text-3"> <p><a href="https://www.daylight.com/dayhtml_tutorials/languages/smiles/index.html">Daylight&gt;SMILES Tutorial</a></p> </div> </div> </div> </div> <div id="outline-container-headline-3" class="outline-2"> <h2 id="headline-3"> Atoms 原子 </h2> <div id="outline-text-headline-3" class="outline-text-2"> <div id="outline-container-headline-4" class="outline-3"> <h3 id="headline-4"> [] </h3> <div id="outline-text-headline-4" class="outline-text-3"> <p>eg: [Li] 表示单个原子</p> </div> </div> <div id="outline-container-headline-5" class="outline-3"> <h3 id="headline-5"> 在不是单个原子时 </h3> <div id="outline-text-headline-5" class="outline-text-3"> <div id="outline-container-headline-6" class="outline-4"> <h4 id="headline-6"> 注意： &#34;[]&#34;方括号内要具体写出有多少个 H, 不能省略 </h4> </div> </div> </div> <div id="outline-container-headline-7" class="outline-3"> <h3 id="headline-7"> 普通 organic subset，达到氢饱和，可以只写原子符号（同时这也是其最低化合价） </h3> <div id="outline-text-headline-7" class="outline-text-3"> <p>eg: CH4 –&gt; C; H2O –&gt; O; B(3), C(4), N(3,5), O(2), P(3,5), S(2,4,6), F(1), Cl(1), Br(1), I(1)</p>