识别化学物分子
SMILES 字符串是将2维分子图表示为1维分子字符串的方法. 找出确认两个 SMILES 字符串是否为同样结构的方法.
| In[1]:= |  X |
从 SMILES 创建图.
| In[2]:= |  X |
| In[3]:= |  X |
| In[4]:= |  X |
| Out[4]= |  |
SMILE 有不同结构.
| In[5]:= |  X |
| Out[5]= |  |
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