{"id":2715,"date":"2023-12-25T14:46:09","date_gmt":"2023-12-25T05:46:09","guid":{"rendered":"https:\/\/u-lab.my-pharm.ac.jp\/~mminfo\/?p=2715"},"modified":"2023-12-25T14:46:09","modified_gmt":"2023-12-25T05:46:09","slug":"%e5%8c%96%e5%ad%a6%e6%a7%8b%e9%80%a0%e3%81%ab%e3%82%88%e3%82%8b%e5%a4%89%e7%95%b0%e5%8e%9f%e6%80%a7%e4%ba%88%e6%b8%ac","status":"publish","type":"post","link":"https:\/\/u-lab2.my-pharm.ac.jp\/~mminfo\/blog\/2715\/","title":{"rendered":"\u5316\u5b66\u69cb\u9020\u306b\u3088\u308b\u5909\u7570\u539f\u6027\u4e88\u6e2c\uff11\uff1aAmes\/QSAR \u56fd\u969b\u30c1\u30e3\u30ec\u30f3\u30b8\u30d7\u30ed\u30b8\u30a7\u30af\u30c8"},"content":{"rendered":"<p>\u5909\u7570\u539f\u6027\u8a66\u9a13\u3067\u3042\u308bAmes\u30c6\u30b9\u30c8\u306e\u967d\u6027\u5316\u5408\u7269\u3092\u5316\u5b66\u69cb\u9020\u3092\u7528\u3044\u3066\u4e88\u6e2c\u3059\u308b\u30a4\u30d9\u30f3\u30c8\u304c\u958b\u50ac\u3055\u308c\u307e\u3057\u305f\u3002<\/p>\n<p>\u56fd\u7acb\u533b\u85ac\u54c1\u98df\u54c1\u885b\u751f\u7814\u7a76\u6240\u304c\u4e3b\u50ac\u3057\u305f<span style=\"color: #0000ff; font-size: 20px;\"><strong><span style=\"color: #ff0000;\">\u7b2c\u4e8c\u56deAmes\/QSAR \u56fd\u969b\u30c1\u30e3\u30ec\u30f3\u30b8\u30d7\u30ed\u30b8\u30a7\u30af\u30c8<\/span>\uff08the Second Ames\/QSAR International Challenge Project\uff09<\/strong><\/span>\u304c\u30b3\u30f3\u30da\u306e\u6b63\u5f0f\u540d\u79f0\u3067\u3059\u3002<\/p>\n<p>\u5f53\u7814\u7a76\u5ba4\u3067\u3082\u30012020\u5e74\u5f53\u6642\u306bQSAR\u3092\u7814\u7a76\u30c6\u30fc\u30de\u306b\u3057\u3066\u3044\u305f\u9ed2\u5d0e\u3055\u3093\u3001\u4f50\u3005\u6728\u3055\u3093\u3001\u677e\u5742\u3055\u3093\u3068\u79c1\u690d\u6ca2\u3067\u3053\u306e\u30a4\u30d9\u30f3\u30c8\u306b\u53c2\u52a0\u3057\u307e\u3057\u305f\u3002<\/p>\n<p>&nbsp;<\/p>\n<p>\u5148\u65e5\u3001\u305d\u306e\u7d50\u679c\u3092\u5831\u544a\u3059\u308b\u8ad6\u6587\u304c\u516c\u8868\u3055\u308c\u307e\u3057\u305f\u3002<\/p>\n<p><a href=\"https:\/\/www.tandfonline.com\/doi\/full\/10.1080\/1062936X.2023.2284902\"><span style=\"color: #ff0000; font-size: 20px;\"><strong><span style=\"color: #0000ff; font-size: 14px;\">Evaluation of QSAR models for predicting mutagenicity: outcome of the Second Ames\/QSAR international challenge project<\/span><\/strong><\/span>,\u00a0Furuhama A, et al., SAR QSAR Environ Res. 2023;34(12):983-1001.<\/a><\/p>\n<p>\u305d\u306e\u4e2d\u3067\u3001<span style=\"font-size: 20px;\"><strong><span style=\"color: #ff0000;\">\u79c1\u305f\u3061\u306e\u4e88\u6e2c\u30e2\u30c7\u30eb\u304c\u9069\u5207\u306b\u8abf\u6574\u3055\u308c\u305f3\u3064\u306e\u30e2\u30c7\u30eb\u306e\u3072\u3068\u3064<\/span><\/strong><\/span>\u3068\u3057\u3066\u53d6\u308a\u4e0a\u3052\u3089\u308c\u307e\u3057\u305f\u3002<\/p>\n<p>&nbsp;<\/p>\n<p><span style=\"background-color: #ccffff;\">\"The three well-adjusted models were Model no. <strong><span style=\"color: #0000ff;\">7<\/span><\/strong> (F1-score of 49.7%, A-sensitivity of 71.4%, sensitivity of 50.8% and specificity of 91.5%), <strong><span style=\"color: #0000ff;\">14<\/span> <\/strong>(51.1%, 95.7%, 58.0% and 88.6%, respectively) and <span style=\"color: #0000ff;\"><strong>16\u20131<\/strong><\/span> (51.6%, 71.3%, 53.4% and 90.7%, respectively). \"<\/span><\/p>\n<p><span style=\"background-color: #ccffff;\">\u300c\u9069\u5207\u306b\u8abf\u6574\u3055\u308c\u305f 3 \u3064\u306e\u30e2\u30c7\u30eb\u306f\u3001Model no. <strong><span style=\"color: #0000ff;\">7<\/span> <\/strong>(F1 \u30b9\u30b3\u30a2 49.7%\u3001A \u611f\u5ea6 71.4%\u3001\u611f\u5ea6 50.8%\u3001\u7279\u7570\u5ea6 91.5%)\u3001<strong><span style=\"color: #0000ff;\">14<\/span> <\/strong>(51.1%\u300195.7%\u300158.0%\u300188.6%)\u3001<strong><span style=\"color: #0000ff;\">16\u30fc1<\/span> <\/strong>(51.6% \u300171.3%\u300153.4%\u300190.7%)\u3067\u3042\u3063\u305f\u3002\u300d<\/span><\/p>\n<p>&nbsp;<\/p>\n<p>\u4e0a\u8a18\u306e<strong><span style=\"color: #0000ff;\">16\u20131<\/span><\/strong>\u304c\u79c1\u305f\u3061\u660e\u6cbb\u85ac\u79d1\u5927\u5b66\u306e\u30e2\u30c7\u30eb\u3067\u3059\u3002\u3061\u306a\u307f\u306b\u3001<strong><span style=\"color: #0000ff;\">7<\/span><\/strong>\u306fMultiCASE Inc.\u304c\u3001<strong><span style=\"color: #0000ff;\">14<\/span><\/strong>\u306f\u30d6\u30eb\u30ac\u30b9\u5927\u5b66\u304c\u63d0\u51fa\u3057\u305f\u30e2\u30c7\u30eb\u306e\u7d50\u679c\u3067\u3059\u3002<\/p>\n<p>&nbsp;<\/p>\n<p>\u3053\u308c\u306f\u3053\u308c\u3067\u3068\u3066\u3082\u8a87\u3089\u3057\u3044\u3053\u3068\u306a\u306e\u3067\u3059\u304c\u3001\u5b9f\u306f\u8a55\u4fa1\u5316\u5408\u7269\u306e<strong><span style=\"color: #0000ff;\">\u30ab\u30d0\u30fc\u7387\uff08\u6027\u80fd\u691c\u8a3c\u7528\u306e\u5168\u5316\u5408\u7269\u306e\u4e2d\u3067\u4e88\u6e2c\u7d50\u679c\u3092\u63d0\u51fa\u3057\u305f\u5272\u5408\uff09<\/span><\/strong>\u3092\u8003\u616e\u3059\u308b\u3068\u8a71\u306f\u5c11\u3005\u3084\u3084\u3053\u3057\u304f\u306a\u308a\u307e\u3059\u3002<\/p>\n<p>\u8981\u3059\u308b\u306b\u3001<span style=\"color: #000000;\">\u3053\u306e<\/span><strong><span style=\"color: #ff0000;\">\u30ab\u30d0\u30fc\u7387\u3092\u8003\u616e\u3059\u308b\u3068<span style=\"font-size: 20px;\"><span style=\"font-size: 14px;\">\u79c1\u305f\u3061<\/span>\u660e\u6cbb\u85ac\u79d1\u5927\u5b66\u304c\u63d0\u51fa\u3057\u305f\u30e2\u30c7\u30eb\u306f\u4ed6\u3092\u5727\u5012<\/span>\u3057\u3066\u3044\u308b<\/span><\/strong>\u3053\u3068\u306b\u306a\u308a\u307e\u3059\u3002<\/p>\n<p>\u3053\u306e\u89e3\u6790\u306b\u3064\u3044\u3066\u3001\u5c11\u3057\u305a\u3064\u7d39\u4ecb\u3057\u3066\u3044\u304d\u305f\u3044\u3068\u601d\u3044\u307e\u3059\u3002<\/p>\n<p>&nbsp;<\/p>\n","protected":false},"excerpt":{"rendered":"<p>\u5909\u7570\u539f\u6027\u8a66\u9a13\u3067\u3042\u308bAmes\u30c6\u30b9\u30c8\u306e\u967d\u6027\u5316\u5408\u7269\u3092\u5316\u5b66\u69cb\u9020\u3092\u7528\u3044\u3066\u4e88\u6e2c\u3059\u308b\u30a4\u30d9\u30f3\u30c8\u304c\u958b\u50ac\u3055\u308c\u307e\u3057\u305f\u3002 \u56fd\u7acb\u533b\u85ac\u54c1\u98df\u54c1\u885b\u751f\u7814\u7a76\u6240\u304c\u4e3b\u50ac\u3057\u305f\u7b2c\u4e8c\u56deAmes\/QSAR \u56fd\u969b\u30c1\u30e3\u30ec\u30f3\u30b8\u30d7\u30ed\u30b8\u30a7\u30af\u30c8\uff08the Second Ames\/Q [&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":[20,21],"class_list":["post-2715","post","type-post","status-publish","format-standard","hentry","category-blog","tag-ames","tag-qsar"],"_links":{"self":[{"href":"https:\/\/u-lab2.my-pharm.ac.jp\/~mminfo\/wp-json\/wp\/v2\/posts\/2715","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=2715"}],"version-history":[{"count":0,"href":"https:\/\/u-lab2.my-pharm.ac.jp\/~mminfo\/wp-json\/wp\/v2\/posts\/2715\/revisions"}],"wp:attachment":[{"href":"https:\/\/u-lab2.my-pharm.ac.jp\/~mminfo\/wp-json\/wp\/v2\/media?parent=2715"}],"wp:term":[{"taxonomy":"category","embeddable":true,"href":"https:\/\/u-lab2.my-pharm.ac.jp\/~mminfo\/wp-json\/wp\/v2\/categories?post=2715"},{"taxonomy":"post_tag","embeddable":true,"href":"https:\/\/u-lab2.my-pharm.ac.jp\/~mminfo\/wp-json\/wp\/v2\/tags?post=2715"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}