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computational chemistry

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計算化学の基礎
化学構造の表記法 by member — last modified 2007-03-05 17:08
MOL format, SMILES format
計算化学のアルゴリズム by member — last modified 2007-03-06 15:48
構造（グラフ）正規化、芳香環（サイクル）検出
グラフ構造 by member — last modified 2009-10-23 12:38
 
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