{"author_name":"magattaca","title":"RDKit Cookbook \u301cRDKit \u76f4\u8a33 Day16\u301c","provider_name":"Hatena Blog","html":"<iframe src=\"https://hatenablog-parts.com/embed?url=https%3A%2F%2Fmagattaca.hatenablog.com%2Fentry%2F2018%2F12%2F17%2F002524\" title=\"RDKit Cookbook \u301cRDKit \u76f4\u8a33 Day16\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>","blog_url":"https://magattaca.hatenablog.com/","author_url":"https://blog.hatena.ne.jp/magattaca/","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 16\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 align: \u30a2\u30e9\u30a4\u30f3\u30e1\u30f3\u30c8\u3092\u53d6\u308b shape comparison: \u5f62\u72b6\u6bd4\u8f03 Shape protrude distance: \u5f62\u72b6\u306f\u307f\u51fa\u3057\u8ddd\u96e2 Shape Tanimoto distance: \u5f62\u72b6\u30bf\u30cb\u30e2\u30c8\u8ddd\u96e2 volume: \u4f53\u7a4d 3D distance matrix: 3D\u8ddd\u96e2\u884c\u5217 2D-pharmacophore ma\u2026","image_url":"https://cdn.blog.st-hatena.com/images/theme/og-image-1500.png","url":"https://magattaca.hatenablog.com/entry/2018/12/17/002524","published":"2018-12-17 00:25:24","height":"190","categories":["RDKit\u76f4\u8a33"],"type":"rich","provider_url":"https://hatena.blog","blog_title":"magattaca\u306e\u30d6\u30ed\u30b0","version":"1.0","width":"100%"}