{"id":3834,"date":"2025-05-24T16:48:33","date_gmt":"2025-05-24T07:48:33","guid":{"rendered":"https:\/\/u-lab.my-pharm.ac.jp\/~mminfo\/?p=3834"},"modified":"2026-01-07T15:00:52","modified_gmt":"2026-01-07T06:00:52","slug":"tox24-challenge%e3%81%ae%e8%ab%96%e6%96%87","status":"publish","type":"post","link":"https:\/\/u-lab2.my-pharm.ac.jp\/~mminfo\/blog\/3834\/","title":{"rendered":"Tox24 Challenge\u306e\u8ad6\u6587"},"content":{"rendered":"\n<p>Tox24 Challenge\u306e\u53c2\u52a0\u8005\u304c\u5171\u540c\u57f7\u7b46\u3057\u305f<a href=\"https:\/\/pubs.acs.org\/doi\/10.1021\/acs.chemrestox.5c00018\">\u8ad6\u6587<\/a>\u304c\u4e0a\u6893\u3055\u308c\u307e\u3057\u305f\u3002<\/p>\n\n\n\n<figure class=\"wp-block-image size-full\"><img loading=\"lazy\" decoding=\"async\" width=\"873\" height=\"850\" src=\"https:\/\/u-lab2.my-pharm.ac.jp\/~mminfo\/wordpress\/wp-content\/uploads\/image-3.png\" alt=\"\" class=\"wp-image-5058\" srcset=\"https:\/\/u-lab2.my-pharm.ac.jp\/~mminfo\/wordpress\/wp-content\/uploads\/image-3.png 873w, https:\/\/u-lab2.my-pharm.ac.jp\/~mminfo\/wordpress\/wp-content\/uploads\/image-3-300x292.png 300w, https:\/\/u-lab2.my-pharm.ac.jp\/~mminfo\/wordpress\/wp-content\/uploads\/image-3-768x748.png 768w\" sizes=\"auto, (max-width: 873px) 100vw, 873px\" \/><\/figure>\n\n\n\n<p>\u4ee5\u4e0b\u3001\u6982\u8981\u3092\u304a\u793a\u3057\u3057\u307e\u3059\uff1a<\/p>\n\n\n\n<p>\n <span style=\"font-size: 14px;\"><span style=\"font-size: 20px;\"><strong>Tox24\u30c1\u30e3\u30ec\u30f3\u30b8\u30c7\u30fc\u30bf\u306b\u57fa\u3065\u304f\u30c8\u30e9\u30f3\u30b9\u30b5\u30a4\u30ec\u30c1\u30f3\u7d50\u5408\u89aa\u548c\u6027\u4e88\u6e2c\u306e\u30b3\u30f3\u30bb\u30f3\u30b5\u30b9\u30e2\u30c7\u30ea\u30f3\u30b0\u6226\u7565<\/strong><\/span><br>\n <strong>\u7814\u7a76\u306e\u80cc\u666f\u3068\u76ee\u7684<\/strong><\/span><\/p>\n\n\n\n<p>\u672c\u7814\u7a76\u306f\u3001\u30c8\u30e9\u30f3\u30b9\u30b5\u30a4\u30ec\u30c1\u30f3\uff08TTR\uff09\u7d50\u5408\u89aa\u548c\u6027\u4e88\u6e2c\u306e\u305f\u3081\u306e\u30b3\u30f3\u30bb\u30f3\u30b5\u30b9\u30e2\u30c7\u30ea\u30f3\u30b0\u6226\u7565\u306b\u95a2\u3059\u308b\u3082\u306e\u3067\u3042\u308b\u3002TTR\u306f\u7532\u72b6\u817a\u30db\u30eb\u30e2\u30f3\u306e\u30b5\u30a4\u30ed\u30ad\u30b7\u30f3\uff08T4\uff09\u306e\u91cd\u8981\u306a\u8f38\u9001\u30bf\u30f3\u30d1\u30af\u8cea\u3067\u3042\u308a\u3001\u5316\u5b66\u7269\u8cea\u304cTTR\u306b\u7d50\u5408\u3057\u3066\u30db\u30eb\u30e2\u30f3\u3092\u7f6e\u63db\u3059\u308b\u3068\u3001\u4f4e\u6fc3\u5ea6\u3067\u3082\u5185\u5206\u6ccc\u7cfb\u3092\u64b9\u4e71\u3059\u308b\u53ef\u80fd\u6027\u304c\u3042\u308b\u3002\u3053\u306e\u7814\u7a76\u3067\u306f\u3001Tox24\u30c1\u30e3\u30ec\u30f3\u30b8\u306e\u30c7\u30fc\u30bf\u3092\u4f7f\u7528\u3057\u3066\u3001TTR\u7d50\u5408\u89aa\u548c\u6027\u3092\u4e88\u6e2c\u3059\u308b\u8a08\u7b97\u30e2\u30c7\u30ea\u30f3\u30b0\u6226\u7565\u3092\u8a55\u4fa1\u3057\u3066\u3044\u308b\u3002<\/p>\n\n\n\n<p><strong>\u7814\u7a76\u65b9\u6cd5<\/strong><\/p>\n\n\n\n<p>\u7814\u7a76\u3067\u306f1,512\u5316\u5408\u7269\u306eTTR\u7d50\u5408\u89aa\u548c\u6027\u30c7\u30fc\u30bf\u30bb\u30c3\u30c8\u3092\u7528\u3044\u3066\u3001\u30c8\u30c3\u30d79\u30c1\u30fc\u30e0\u306e\u500b\u5225\u30e2\u30c7\u30eb\u3092\u5206\u6790\u3057\u305f\u3002\u500b\u5225\u30e2\u30c7\u30eb\u306e\u6027\u80fd\u3068\u4e0d\u78ba\u5b9f\u6027\u3092\u56de\u5e30\u6307\u6a19\u3068\u9069\u7528\u9818\u57df\uff08AD\uff09\u3067\u8a55\u4fa1\u3057\u3001\u8907\u6570\u30e2\u30c7\u30eb\u306e\u4e88\u6e2c\u3092\u5e73\u5747\u5316\u3057\u3066\u30b3\u30f3\u30bb\u30f3\u30b5\u30b9\u30e2\u30c7\u30eb\u3092\u958b\u767a\u3057\u305f\u3002AD\u306e\u8003\u616e\u3042\u308a\u3068\u306a\u3057\u306e\u4e21\u65b9\u306e\u30a2\u30d7\u30ed\u30fc\u30c1\u3092\u691c\u8a3c\u3057\u3066\u3044\u308b\u3002<\/p>\n\n\n\n<p><strong>\u4e3b\u8981\u306a\u7d50\u679c<\/strong><\/p>\n\n\n\n<p><em>\u30e2\u30c7\u30eb\u6027\u80fd\u306b\u3064\u3044\u3066<\/em><\/p>\n\n\n\n<p>\u30b3\u30f3\u30bb\u30f3\u30b5\u30b9\u30e2\u30c7\u30eb\u306f\u30c6\u30b9\u30c8\u30bb\u30c3\u30c8\u3067RMSE 19.8%\u3092\u9054\u6210\u3057\u3001\u500b\u5225\u30e2\u30c7\u30eb\u5e73\u5747\u306eRMSE 20.9%\u3092\u4e0a\u56de\u308b\u6027\u80fd\u3092\u793a\u3057\u305f\u3002\u3053\u308c\u306b\u3088\u308a\u3001\u30b3\u30f3\u30bb\u30f3\u30b5\u30b9\u30e2\u30c7\u30eb\u304c\u500b\u5225\u30e2\u30c7\u30eb\u3088\u308a\u3082\u512a\u308c\u305f\u4e88\u6e2c\u6027\u80fd\u3092\u6301\u3064\u3053\u3068\u304c\u78ba\u8a8d\u3055\u308c\u305f\u3002<\/p>\n\n\n\n<p><em>\u9069\u7528\u9818\u57df\u306e\u52b9\u679c<\/em><\/p>\n\n\n\n<p>\u500b\u5225\u30e2\u30c7\u30eb\u3067\u306f\u4e00\u822c\u7684\u306bAD\u5236\u7d04\u306b\u3088\u308a\u5916\u90e8\u4e88\u6e2c\u7cbe\u5ea6\u304c\u5411\u4e0a\u3057\u305f\u304c\u3001\u30b3\u30f3\u30bb\u30f3\u30b5\u30b9\u30e2\u30c7\u30eb\u3067\u306fAD\u306e\u8ffd\u52a0\u7684\u52b9\u679c\u306f\u9650\u5b9a\u7684\u3067\u3042\u3063\u305f\u3002\u6700\u3082\u4fdd\u5b88\u7684\u306a\u30a2\u30d7\u30ed\u30fc\u30c1\uff08\u51689\u30e2\u30c7\u30eb\u306eAD\u5185\uff09\u3067\u306fRMSE 13.7%\u3092\u9054\u6210\u3057\u305f\u304c\u3001\u30ab\u30d0\u30ec\u30c3\u30b8\u306f28.3%\u306b\u7559\u307e\u3063\u305f\u3002\u4e00\u65b9\u3001\u6700\u3082\u8a31\u5bb9\u7684\u306a\u30a2\u30d7\u30ed\u30fc\u30c1\u3067\u306fRMSE 19.8%\u3067\u30ab\u30d0\u30ec\u30c3\u30b8100%\u3092\u5b9f\u73fe\u3057\u305f\u3002<\/p>\n\n\n\n<p><em>\u5916\u308c\u5024\u306e\u7279\u5b9a<\/em><\/p>\n\n\n\n<p>\u8907\u6570\u306e\u30e2\u30c7\u30eb\u3067\u4e00\u8cab\u3057\u3066\u7279\u5b9a\u3055\u308c\u305f\u5916\u308c\u5024\u306f\u3001\u5b9f\u9a13\u7684\u30a2\u30fc\u30c6\u30a3\u30d5\u30a1\u30af\u30c8\u3084\u6d3b\u6027\u65ad\u5d16\u306e\u53ef\u80fd\u6027\u3092\u793a\u5506\u3057\u3066\u3044\u308b\u3002\u5404\u30e2\u30c7\u30eb\u306e\u8a13\u7df4\u30bb\u30c3\u30c8\u3067\u5e73\u574750\u500b\u306e\u5916\u308c\u5024\u304c\u7279\u5b9a\u3055\u308c\u3001\u3053\u308c\u306f\u5168\u4f53\u306e5%\u672a\u6e80\u306b\u76f8\u5f53\u3059\u308b\u3002<\/p>\n\n\n\n<p><em>\u90e8\u5206\u69cb\u9020\u91cd\u8981\u6027\u5206\u6790<\/em><\/p>\n\n\n\n<p>\u5404\u30e2\u30c7\u30eb\u306f\u7570\u306a\u308b\u5316\u5b66\u7684\u7279\u5fb4\u3092\u512a\u5148\u3057\u3066\u3044\u305f\u304c\u3001\u30b3\u30f3\u30bb\u30f3\u30b5\u30b9\u5e73\u5747\u5316\u306b\u3088\u308a\u3001\u3053\u308c\u3089\u306e\u7570\u306a\u308b\u8996\u70b9\u304c\u8abf\u548c\u3055\u308c\u305f\u3002\u7d71\u8a08\u7684\u306b\u6709\u610f\u306a4\u3064\u306e\u90e8\u5206\u69cb\u9020\u304c\u7279\u5b9a\u3055\u308c\u3001\u30c6\u30c8\u30e9\u30d8\u30c9\u30e9\u30eb\u70ad\u7d20\u539f\u5b50\uff08\u30e1\u30c1\u30eb\u57fa\u7f6e\u63db\uff09\u3001\u4e8c\u91cd\u7d50\u5408\u3092\u6301\u3064\u786b\u9ec4\u539f\u5b50\u3001\u30a4\u30bd\u30d7\u30ed\u30d1\u30ce\u30fc\u30eb\u9aa8\u683c\u3001\u30ae\u9178\u30a8\u30c1\u30eb\u9aa8\u683c\u304c\u542b\u307e\u308c\u308b\u3002<\/p>\n\n\n\n<p><strong>\u7d50\u8ad6\u3068\u610f\u7fa9<\/strong><\/p>\n\n\n\n<p>\u672c\u7814\u7a76\u306f\u30b3\u30f3\u30bb\u30f3\u30b5\u30b9\u30e2\u30c7\u30ea\u30f3\u30b0\u306e\u6709\u52b9\u6027\u3092\u5b9f\u8a3c\u3057\u3066\u3044\u308b\u3002\u8907\u6570\u30e2\u30c7\u30eb\u306e\u7d44\u307f\u5408\u308f\u305b\u306b\u3088\u308a\u4e88\u6e2c\u6027\u80fd\u304c\u5411\u4e0a\u3057\u3001\u500b\u5225\u30e2\u30c7\u30eb\u306e\u504f\u308a\u304c\u8efd\u6e1b\u3055\u308c\u308b\u52b9\u679c\u304c\u78ba\u8a8d\u3055\u308c\u305f\u3002\u3053\u306e\u624b\u6cd5\u306f\u898f\u5236\u5f53\u5c40\u306e\u610f\u601d\u6c7a\u5b9a\u3084\u5316\u5b66\u7269\u8cea\u5b89\u5168\u6027\u8a55\u4fa1\u3092\u652f\u63f4\u3059\u308b\u53ef\u80fd\u6027\u3092\u6301\u3063\u3066\u3044\u308b\u3002<\/p>\n\n\n\n<p>\u4eca\u5f8c\u306e\u8ab2\u984c\u3068\u3057\u3066\u3001\u5316\u5b66\u7a7a\u9593\u30ab\u30d0\u30ec\u30c3\u30b8\u306e\u62e1\u5927\u3001\u5b9f\u9a13\u30c7\u30fc\u30bf\u30bb\u30c3\u30c8\u306e\u7cbe\u5bc6\u5316\u3001\u7279\u5b9a\u3055\u308c\u305f\u5916\u308c\u5024\u306e\u3055\u3089\u306a\u308b\u8abf\u67fb\u304c\u6319\u3052\u3089\u308c\u308b\u3002\u307e\u305f\u3001\u5b9f\u9a13\u7684\u4e0d\u78ba\u5b9f\u6027\u304c\u5927\u304d\u3044\u5834\u5408\u3001\u9ad8\u5ea6\u306a\u30e2\u30c7\u30eb\u3084\u30b3\u30f3\u30bb\u30f3\u30b5\u30b9\u30a2\u30d7\u30ed\u30fc\u30c1\u3067\u3082\u5b9f\u9a13\u7cbe\u5ea6\u306e\u9650\u754c\u3092\u8d85\u3048\u308b\u3053\u3068\u306f\u56f0\u96e3\u3067\u3042\u308b\u3068\u3044\u3046\u65b9\u6cd5\u8ad6\u7684\u793a\u5506\u3082\u5f97\u3089\u308c\u305f\u3002<\/p>\n\n\n\n<p>\u3053\u306e\u7814\u7a76\u306f\u6bd2\u6027\u5b66\u7684\u4e88\u6e2c\u306b\u304a\u3051\u308b\u30b3\u30f3\u30bb\u30f3\u30b5\u30b9\u30e2\u30c7\u30ea\u30f3\u30b0\u306e\u4fa1\u5024\u3092\u5b9f\u8a3c\u3057\u3001\u5c06\u6765\u306e\u8a08\u7b97\u6bd2\u6027\u5b66\u7814\u7a76\u306e\u67a0\u7d44\u307f\u3092\u63d0\u4f9b\u3059\u308b\u3082\u306e\u3067\u3042\u308b\u3002<\/p>\n","protected":false},"excerpt":{"rendered":"<p>Tox24 Challenge\u306e\u53c2\u52a0\u8005\u304c\u5171\u540c\u57f7\u7b46\u3057\u305f\u8ad6\u6587\u304c\u4e0a\u6893\u3055\u308c\u307e\u3057\u305f\u3002 \u4ee5\u4e0b\u3001\u6982\u8981\u3092\u304a\u793a\u3057\u3057\u307e\u3059\uff1a Tox24\u30c1\u30e3\u30ec\u30f3\u30b8\u30c7\u30fc\u30bf\u306b\u57fa\u3065\u304f\u30c8\u30e9\u30f3\u30b9\u30b5\u30a4\u30ec\u30c1\u30f3\u7d50\u5408\u89aa\u548c\u6027\u4e88\u6e2c\u306e\u30b3\u30f3\u30bb\u30f3\u30b5\u30b9\u30e2\u30c7\u30ea\u30f3\u30b0\u6226\u7565 \u7814\u7a76\u306e\u80cc\u666f\u3068\u76ee\u7684 \u672c [&hellip;]<\/p>\n","protected":false},"author":11,"featured_media":0,"comment_status":"closed","ping_status":"closed","sticky":false,"template":"","format":"standard","meta":{"vkexunit_cta_each_option":"","footnotes":""},"categories":[18],"tags":[21,27],"class_list":["post-3834","post","type-post","status-publish","format-standard","hentry","category-blog","tag-qsar","tag-tox24"],"_links":{"self":[{"href":"https:\/\/u-lab2.my-pharm.ac.jp\/~mminfo\/wp-json\/wp\/v2\/posts\/3834","targetHints":{"allow":["GET"]}}],"collection":[{"href":"https:\/\/u-lab2.my-pharm.ac.jp\/~mminfo\/wp-json\/wp\/v2\/posts"}],"about":[{"href":"https:\/\/u-lab2.my-pharm.ac.jp\/~mminfo\/wp-json\/wp\/v2\/types\/post"}],"author":[{"embeddable":true,"href":"https:\/\/u-lab2.my-pharm.ac.jp\/~mminfo\/wp-json\/wp\/v2\/users\/11"}],"replies":[{"embeddable":true,"href":"https:\/\/u-lab2.my-pharm.ac.jp\/~mminfo\/wp-json\/wp\/v2\/comments?post=3834"}],"version-history":[{"count":1,"href":"https:\/\/u-lab2.my-pharm.ac.jp\/~mminfo\/wp-json\/wp\/v2\/posts\/3834\/revisions"}],"predecessor-version":[{"id":5059,"href":"https:\/\/u-lab2.my-pharm.ac.jp\/~mminfo\/wp-json\/wp\/v2\/posts\/3834\/revisions\/5059"}],"wp:attachment":[{"href":"https:\/\/u-lab2.my-pharm.ac.jp\/~mminfo\/wp-json\/wp\/v2\/media?parent=3834"}],"wp:term":[{"taxonomy":"category","embeddable":true,"href":"https:\/\/u-lab2.my-pharm.ac.jp\/~mminfo\/wp-json\/wp\/v2\/categories?post=3834"},{"taxonomy":"post_tag","embeddable":true,"href":"https:\/\/u-lab2.my-pharm.ac.jp\/~mminfo\/wp-json\/wp\/v2\/tags?post=3834"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}