[Published online Journal of Computer Chemistry, Japan Vol.17, 193-195, by J-STAGE]
<Title:> 正規表現拡張SMILESを用いた化学構造検索の提案
<Author(s):> 坂本 雅志, 藤芳 明生
<Corresponding author E-Mill:> akio.fujiyoshi.cs(at)vc.ibaraki.ac.jp
<Abstract:> 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.
<Keywords:> キーワード：Chemical structure search, Regular expression, SMILES, Graph automaton
<URL:> https://www.jstage.jst.go.jp/article/jccj/17/5/17_2018-0051/_article/-char/ja/
