簡化分子線性輸入規範
美國信息交換標準代碼线符號表示化學物種的結構 / 維基百科，自由的 百科全書
簡化分子線性輸入規范（英語：Simplified molecular input line entry specification，簡稱SMILES），是一種用ASCII字符串明確描述分子結構的規范。
𬭩内盐"},{"l":"zh-tw","t":"偶極體"}]}">𬭩内盐"},{"f":"偶极体","l":"zh-sg","t":"𬭩内盐"},{"f":"偶极体","l":"zh-my","t":"𬭩内盐"}]}">𬭩内盐"},{"f":"鎓内盐","l":"zh-sg","t":"𬭩内盐"},{"f":"鎓内盐","l":"zh-my","t":"𬭩内盐"},{"f":"鎓内盐","l":"zh-tw","t":"偶極體"},{"f":"鎓内盐","l":"zh-hk","t":"偶極體"},{"f":"鎓内盐","l":"zh-mo","t":"偶極體"}]}">𬭩内盐"},{"f":"鎓內鹽","l":"zh-sg","t":"𬭩内盐"},{"f":"鎓內鹽","l":"zh-my","t":"𬭩内盐"},{"f":"鎓內鹽","l":"zh-tw","t":"偶極體"},{"f":"鎓內鹽","l":"zh-hk","t":"偶極體"},{"f":"鎓內鹽","l":"zh-mo","t":"偶極體"}]}">𠯤"},{"l":"zh-hk","t":"吩嗪"}]}">𠯤"},{"l":"zh-hk","t":"吩噻嗪"}]}">𠯤"},{"l":"zh-hk","t":"酞嗪"}]}">𠯤"},{"l":"zh-hk","t":"哌嗪"}]}">𠯤"},{"l":"zh-hk","t":"吡嗪"}]}">𠯤"},{"l":"zh-hk","t":"噠嗪"}]}">𠯤"},{"l":"zh-hk","t":"噻嗪"}]}">鿔"},{"l":"zh-hant","t":"鎶"}]}">𫟼"},{"l":"zh-hant","t":"鐽"}]}">𫓧"},{"l":"zh-hant","t":"鈇"}]}">𫟷"},{"l":"zh-hant","t":"鉝"}]}">鿭"},{"l":"zh-hant","t":"鉨"}]}">𬬭"},{"l":"zh-hant","t":"錀"}]}">𬬻"},{"l":"zh-hant","t":"鑪"}]}">
.smi | |
chemical/x-daylight-smiles | |
| 格式類型 | 化學文件格式 |
SMILES字符串可以被大多數分子編輯軟件導入並轉換成二維圖形或分子的三維模型。轉換成二維圖形可以使用Helson的「結構圖生成算法」（Structure Diagram Generation algorithms）[1]。
最初的 SMILES 規范始於 1980 年代，已經被多次修改和擴展。 2007 年，開源化學社區開發了一個名為 OpenSMILES 的開放標准。