A Proposal of Chemical Structure Search Using a Regular Expression Extension for SMILES
This paper proposes the use of regular expressions for chemical structure search. As regular expressions dramatically improve the convenience of string search, a regular expression extension for SMILES can improve the convenience of chemical structure search．The regular expression extension for SMIL...
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| Veröffentlicht in: | Journal of Computer Chemistry, Japan Japan, 2018, Vol.17(5), pp.193-195 |
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| container_end_page | 195 |
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| container_issue | 5 |
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| container_title | Journal of Computer Chemistry, Japan |
| container_volume | 17 |
| creator | SAKAMOTO, Masashi FUJIYOSHI, Akio |
| description | This paper proposes the use of regular expressions for chemical structure search. As regular expressions dramatically improve the convenience of string search, a regular expression extension for SMILES can improve the convenience of chemical structure search．The regular expression extension for SMILES is obtained from the existing SMILES notation by adding the curly brackets “{” and “}” for range specifications, the vertical bar “|” for enumerations of choices, the asterisk “*” for repetitions of 0 or more times, and the plus“+” for repetitions of 1 or more times. Software for chemical structure search using the extended SMILES was implemented and released. |
| doi_str_mv | 10.2477/jccj.2018-0051 |
| format | Article |
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| identifier | ISSN: 1347-1767 |
| ispartof | Journal of Computer Chemistry, Japan, 2018, Vol.17(5), pp.193-195 |
| issn | 1347-1767 1347-3824 |
| language | eng ; jpn |
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| source | J-STAGE Free; EZB-FREE-00999 freely available EZB journals; Free Full-Text Journals in Chemistry |
| subjects | Brackets Graph automaton Organic chemistry Regular expression Searching SMILES Software reviews Text editing キーワード：Chemical structure search |
| title | A Proposal of Chemical Structure Search Using a Regular Expression Extension for SMILES |
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