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Highlights of the research.
| The best numbers of aromatic and non-aromatic rings of candidate drugs are 2 and 1, respectively. |
| The best functional groups of candidate drugs are usually -OH, -COOR and –COOH. |
| The -F functional group is beneficial to CNS drugs. |
| The -NH2 functional group is beneficial to anti-infective drugs and anti-cancer drugs. |
| The best R value interval of candidate drugs is in the range of 0.05–0.50 (preferably 0.10–0.35). |
