{"blog_title":"magattaca\u306e\u30d6\u30ed\u30b0","url":"https://magattaca.hatenablog.com/entry/2018/12/17/223557","html":"<iframe src=\"https://hatenablog-parts.com/embed?url=https%3A%2F%2Fmagattaca.hatenablog.com%2Fentry%2F2018%2F12%2F17%2F223557\" title=\"Chemical Reactions part1 \u301cRDKit \u76f4\u8a33 Day17\u301c - magattaca\u306e\u30d6\u30ed\u30b0\" class=\"embed-card embed-blogcard\" scrolling=\"no\" frameborder=\"0\" style=\"display: block; width: 100%; height: 190px; max-width: 500px; margin: 10px 0px;\"></iframe>","author_name":"magattaca","version":"1.0","blog_url":"https://magattaca.hatenablog.com/","provider_name":"Hatena Blog","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 17\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 SMARTS-based language: SMARTS\u30d9\u30fc\u30b9\u306e\u8a18\u6cd5 MDL rxn files: MDL rxn\u30d5\u30a1\u30a4\u30eb unique products: \u5358\u4e00\u306e\u751f\u6210\u7269 sanitize: \u30b5\u30cb\u30bf\u30a4\u30ba the hierarchy of transformations: \u5909\u63db\u306e\u968e\u5c64\u69cb\u9020 dummy atom: \u30c0\u30df\u30fc\u30a2\u30c8\u30e0 \u4ee5\u4e0b\u2026","height":"190","published":"2018-12-17 22:35:57","title":"Chemical Reactions part1 \u301cRDKit \u76f4\u8a33 Day17\u301c","categories":["RDKit\u76f4\u8a33"],"width":"100%","author_url":"https://blog.hatena.ne.jp/magattaca/","provider_url":"https://hatena.blog","type":"rich","image_url":"https://cdn.blog.st-hatena.com/images/theme/og-image-1500.png"}