{"blog_title":"magattaca\u306e\u30d6\u30ed\u30b0","blog_url":"https://magattaca.hatenablog.com/","version":"1.0","provider_url":"https://hatena.blog","categories":["RDKit\u76f4\u8a33"],"published":"2018-12-05 23:18:45","width":"100%","type":"rich","author_url":"https://blog.hatena.ne.jp/magattaca/","url":"https://magattaca.hatenablog.com/entry/2018/12/05/231845","description":"\uff0812/30\u8ffd\u8a18\uff09\u8a66\u8a33\u3092\u307e\u3068\u3081\u305f\u30c6\u30b9\u30c8\u30b5\u30a4\u30c8\u3092\u4f5c\u6210\u3057\u307e\u3057\u305f\u3002\u3088\u308d\u3057\u3051\u308c\u3070\u3054\u53c2\u7167\u304f\u3060\u3055\u3044\u3002 \u3053\u3061\u3089\u306fRDKit\u76f4\u8a33 Advent Calendar 2018 - Adventar 5\u65e5\u76ee\u306e\u8a18\u4e8b\u3067\u3059\u3002\u57fa\u672c\u7684\u306a\u9032\u3081\u65b9\u306f1\u65e5\u76ee\u306e\u8a18\u4e8b\u3092\u3054\u89a7\u304f\u3060\u3055\u3044\u3002 \u672c\u65e5\u306e\u8a33\u51fa\u306b\u56f0\u3063\u305f\u7528\u8a9e hydrogen atoms implicit: \u6c34\u7d20\u539f\u5b50\u3092\u6697\u306b\u6271\u3046\uff08\u660e\u793a\u3057\u306a\u3044\uff09 molecular graph: \u5206\u5b50\u30b0\u30e9\u30d5\u69cb\u9020 3D geometry: \uff13\u6b21\u5143\u306e\u5e7e\u4f55\u69cb\u9020 aromatic bond type: \u82b3\u9999\u65cf\u306e\u7d50\u5408\u30bf\u30a4\u30d7 \u4ee5\u4e0b\u3001\u8a33 \u5206\u5b50\u306e\u53d6\u308a\u6271\u3044\u65b9(Working with Molecules) [Link] htt\u2026","author_name":"magattaca","provider_name":"Hatena Blog","title":"Working with Molecules part1 \u301cRDKit \u76f4\u8a33 Day5\u301c","height":"190","image_url":null,"html":""}