{"author_name":"yaboojp","description":"CDK ver 2.0 \u304c\u516c\u958b\u3055\u308c\u3066\u3044\u308b\u306e\u3067\u3001\u4ee5\u524d\u4f5c\u3063\u305f\u30d7\u30ed\u30b0\u30e9\u30e0\u306e\u52d5\u4f5c\u78ba\u8a8d\u3082\u517c\u306d\u3066\u3001\u30b5\u30f3\u30d7\u30eb\u30b9\u30af\u30ea\u30d7\u30c8\u3068\u5171\u306b\u7d39\u4ecb\u3057\u307e\u3059\u3002 \u307e\u305a\u306f\u3001MACCS keys (166\u30d3\u30c3\u30c8\u7248)\u304b\u3089\u3002\u25cb\u5909\u66f4\u70b9 \u30fbIMolecule \u30a4\u30f3\u30bf\u30fc\u30d5\u30a7\u30fc\u30b9\u304c\u524a\u9664\u3055\u308c\u305f\u306e\u3067\u3001IAtomContainer \u306b\u5909\u66f4 \u30fbIteratingSMILESReader \u95a2\u6570\u306e\u5f15\u6570\u306b\u3001\u7a7a\u306e IChemObjectBuilder \u3092\u8ffd\u52a0\u3002 import java.io.*; import org.openscience.cdk.interfaces.*; import org.openscience.cdk.io.iterator.Iter\u2026","blog_url":"https://yaboojp.hatenadiary.org/","categories":["CDK"],"height":"190","provider_url":"https://hatena.blog","html":"<iframe src=\"https://hatenablog-parts.com/embed?url=https%3A%2F%2Fyaboojp.hatenadiary.org%2Fentry%2F20170531%2F1496187439\" title=\"CDK 2.0 - \u3051\u307f\u3052\u306e\" class=\"embed-card embed-blogcard\" scrolling=\"no\" frameborder=\"0\" style=\"display: block; width: 100%; height: 190px; max-width: 500px; margin: 10px 0px;\"></iframe>","author_url":"https://blog.hatena.ne.jp/yaboojp/","type":"rich","image_url":null,"published":"2017-05-31 08:37:19","provider_name":"Hatena Blog","url":"https://yaboojp.hatenadiary.org/entry/20170531/1496187439","blog_title":"\u3051\u307f\u3052\u306e","width":"100%","title":"CDK 2.0","version":"1.0"}