{"id":2758,"date":"2024-01-02T17:22:57","date_gmt":"2024-01-02T08:22:57","guid":{"rendered":"https:\/\/u-lab.my-pharm.ac.jp\/~mminfo\/?p=2758"},"modified":"2024-01-02T17:22:57","modified_gmt":"2024-01-02T08:22:57","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%ef%bc%97%ef%bc%9a%e8%a9%95%e4%be%a1%e6%8c%87%e6%a8%99%ef%bc%88%ef%bc%92%ef%bc%89","status":"publish","type":"post","link":"https:\/\/u-lab2.my-pharm.ac.jp\/~mminfo\/blog\/2758\/","title":{"rendered":"\u5316\u5b66\u69cb\u9020\u306b\u3088\u308b\u5909\u7570\u539f\u6027\u4e88\u6e2c\uff17\uff1a\u8a55\u4fa1\u6307\u6a19\uff08\u611f\u5ea6\u3001\u7279\u7570\u5ea6\u3001\u967d\u6027\u7684\u4e2d\u7387\u3001\u9670\u6027\u7684\u4e2d\u7387\uff09"},"content":{"rendered":"

QSAR\u89e3\u6790\u306b\u3088\u308b\u8b58\u5225\u4e88\u6e2c\u6027\u80fd\u3092\u8a55\u4fa1\u3059\u308b\u6307\u6a19\u306f\u6b63\u78ba\u5ea6\uff08Accuracy\uff09\u4ee5\u5916\u306b\u3082\u305f\u304f\u3055\u3093\u3042\u308a\u307e\u3059\u3002<\/p>\n

\u3053\u3053\u3067\u306f\u3001\u6bd4\u8f03\u7684\u30b7\u30f3\u30d7\u30eb\u306a\u8a55\u4fa1\u6307\u6a19\u3092\u7d39\u4ecb\u3057\u307e\u3059\u3002<\/p>\n

 <\/p>\n

\u307e\u305a\u306f\u5fa9\u7fd2\u3067\u3059\u3002<\/p>\n

\u967d\u6027\u30fb\u9670\u6027\u3092\u8b58\u5225\u3059\u308b\u30e2\u30c7\u30eb\u306e\u7d50\u679c\u306f\u771f\u967d\u6027<\/strong>\uff08True Positive\uff1aTP<\/strong>\uff09\u3001\u771f\u9670\u6027<\/strong>\uff08True Negative\uff1aTN<\/strong>\uff09\u3001\u507d\u967d\u6027<\/strong>\uff08False Positive\uff1aFP<\/strong>\uff09\u3001\u507d\u9670\u6027<\/strong>\uff08False Negative\uff1aFN<\/strong>\uff09\u306e\uff14\u30d1\u30bf\u30fc\u30f3\u306b\u5206\u985e\u3067\u304d\u307e\u3059\u3002<\/p>\n\n\n\n\n\n
\u00a0<\/strong><\/span><\/td>\n\u4e88\u6e2c\u5024\u967d\u6027<\/span><\/strong><\/span><\/td>\n\u4e88\u6e2c\u5024\u9670\u6027<\/span><\/strong><\/span><\/td>\n<\/tr>\n
\u5b9f\u6e2c\u5024\u967d\u6027<\/span><\/strong><\/span><\/td>\nTP<\/strong><\/span><\/td>\nFN<\/strong><\/span><\/td>\n<\/tr>\n
\u5b9f\u6e2c\u5024\u9670\u6027<\/span><\/strong><\/span><\/td>\nFP<\/strong><\/span><\/td>\nTN<\/strong><\/span><\/td>\n<\/tr>\n<\/tbody>\n<\/table>\n

 <\/p>\n

\u3053\u306e\uff14\u7a2e\u985e\u306e\u5316\u5408\u7269\u6570\u304b\u3089\u3001\u611f\u5ea6\u3001\u7279\u7570\u5ea6\u3001\u967d\u6027\u7684\u4e2d\u7387\u3001\u9670\u6027\u7684\u4e2d\u7387<\/span><\/strong><\/span>\u3092\u8a08\u7b97\u3059\u308b\u3053\u3068\u304c\u3067\u304d\u307e\u3059\u3002<\/p>\n\n\n\n\n\n\n\n
\u6307\u6a19<\/td>\n\u5b9a\u7fa9<\/td>\n\u8a08\u7b97\u5f0f<\/td>\n\u7126\u70b9<\/td>\n\u5225\u540d<\/td>\n<\/tr>\n
\u611f\u5ea6<\/span> <\/strong>(Sensitivity)<\/td>\n\u5b9f\u969b\u306e\u967d\u6027\u30b1\u30fc\u30b9\u3092\u6b63\u3057\u304f\u4e88\u6e2c\u3059\u308b\u5272\u5408<\/td>\nTP \/ (TP + FN)<\/td>\n\u507d\u9670\u6027\u306e\u6700\u5c0f\u5316<\/td>\n\n

\u771f\u967d\u6027\u7387\uff08True Positive Rate\uff09<\/p>\n

\u518d\u73fe\u7387\uff08Recall\uff09<\/p>\n<\/td>\n<\/tr>\n

\u7279\u7570\u5ea6<\/span><\/strong> (Specificity)<\/td>\n\u5b9f\u969b\u306e\u9670\u6027\u30b1\u30fc\u30b9\u3092\u6b63\u3057\u304f\u4e88\u6e2c\u3059\u308b\u5272\u5408<\/td>\nTN \/ (TN + FP)<\/td>\n\u507d\u967d\u6027\u306e\u6700\u5c0f\u5316<\/td>\n\u771f\u9670\u6027\u7387\uff08True Negative Rate\uff09<\/td>\n<\/tr>\n
\n

\u967d\u6027\u7684\u4e2d\u7387<\/span><\/strong><\/p>\n

(PPV)<\/p>\n<\/td>\n

\u967d\u6027\u3068\u4e88\u6e2c\u3055\u308c\u305f\u30b1\u30fc\u30b9\u304c\u5b9f\u969b\u306b\u967d\u6027\u3067\u3042\u308b\u5272\u5408<\/td>\nTP \/ (TP + FP)<\/td>\n\u30dd\u30b8\u30c6\u30a3\u30d6\u4e88\u6e2c\u306e\u7cbe\u5ea6<\/td>\n\n

\u9069\u5408\u7387 (Precision)<\/p>\n<\/td>\n<\/tr>\n

\u9670\u6027\u9069\u4e2d\u7387<\/span><\/strong> (NPV)<\/td>\n\u9670\u6027\u3068\u7279\u5b9a\u3055\u308c\u305f\u30b1\u30fc\u30b9\u304c\u5b9f\u969b\u306b\u9670\u6027\u3067\u3042\u308b\u5272\u5408<\/td>\nTN \/ (TN + FN)<\/td>\n\u30cd\u30ac\u30c6\u30a3\u30d6\u4e88\u6e2c\u306e\u7cbe\u5ea6<\/td>\nNone<\/td>\n<\/tr>\n<\/tbody>\n<\/table>\n

 <\/p>\n

\u3061\u306a\u307f\u306b\u3001\u3053\u308c\u3089\u306b\u306f\u3044\u304f\u3064\u304b\u306e\u5225\u540d\u304c\u3042\u3063\u3066\u6df7\u4e71\u3057\u3084\u3059\u3044\u306e\u3067\u6ce8\u610f\u3057\u307e\u3057\u3087\u3046\u3002<\/p>\n

\u540c\u3058\u5206\u91ce\u3067\u3082\u7570\u306a\u3063\u305f\u7528\u8a9e\u3092\u4f7f\u7528\u3059\u308b\u3053\u3068\u3060\u3063\u3066\u6709\u308a\u307e\u3059\u3002<\/p>\n

\u7279\u306b\u3001\u967d\u6027\u7684\u4e2d\u7387\u306e\u5225\u540d\u3067\u3042\u308bPrecision\u306f\u305d\u306e\u307e\u307e\u65e5\u672c\u8a9e\u8a33\u3059\u308b\u3068\u300c\u7cbe\u5ea6\u300d\u3068\u306a\u308a\u3001\u3053\u306e\u65e5\u672c\u8a9e\u3092\u4f7f\u7528\u3059\u308b\u3053\u3068\u3082\u5c11\u306a\u304f\u3042\u308a\u307e\u305b\u3093\u3002<\/p>\n

\u3068\u3053\u308d\u304c\u3001\u524d\u56de\u8ff0\u3079\u305fAccuracy\u3082\u8f9e\u66f8\u7684\u306a\u65e5\u672c\u8a9e\u8a33\u3067\u306f\u7cbe\u5ea6\u3068\u306a\u308a\u307e\u3059\u306e\u3067\u3055\u3089\u306b\u6df7\u4e71\u3057\u307e\u3059\u3002<\/p>\n

\u3053\u3053\u3067\u306f\u3001Accuracy\u306f\u6b63\u78ba\u5ea6\u3001Precision\u306f\u9069\u5408\u7387\u3068\u547c\u3076\u3053\u3068\u306b\u3057\u3066\u304a\u304d\u307e\u3059\u3002<\/p>\n

 <\/p>\n

\u3055\u3066\u3001\u4e0a\u8a18\u306e\uff14\u7a2e\u985e\u306e\u8a55\u4fa1\u6307\u6a19\u306f\uff10\u304b\u3089\uff11\u307e\u3067\u306e\u7d71\u8a08\u91cf\u3067\u3059\u3002<\/p>\n

\u3082\u3057\u4eee\u306b\u967d\u6027\u3068\u9670\u6027\u306e\u5b9f\u6e2c\u5024\u304c50%\u305a\u3064\u306e\u30b5\u30f3\u30d7\u30eb\u304c\u3042\u3063\u305f\u3068\u3059\u308b\u3068\u3001\u5168\u304f\u5f53\u3066\u305a\u3063\u307d\u3046\u306b\u30e9\u30f3\u30c0\u30e0\u306b\u4e88\u6e2c\u7d50\u679c\u3092\u8fd4\u3059\u4e88\u6e2c\u30e2\u30c7\u30eb\u306e\u8a55\u4fa1\u7d50\u679c\u306f\u5168\u30660.5\u306b\u306a\u308a\u307e\u3059\u3002<\/p>\n

 <\/p>\n

\u3067\u306f\u3001\u4e0d\u5747\u8861\u30c7\u30fc\u30bf\u306e\u5834\u5408<\/span><\/strong>\u306f\u3069\u3046\u306a\u308b\u3067\u3057\u3087\u3046\u304b\uff1f<\/p>\n

\uff11\uff10\uff10\uff10\u5316\u5408\u7269\u306e\u5185\uff11\uff10\u5316\u5408\u7269\u306e\u5b9f\u6e2c\u5024\u304c\u967d\u6027\u3001\u6b8b\u308a\u306e\uff19\uff19\uff10\u5316\u5408\u7269\u306e\u5b9f\u6e2c\u5024\u304c\u9670\u6027<\/span><\/strong>\u3060\u3063\u305f\u5834\u5408\u3092\u8003\u3048\u3066\u307f\u307e\u3057\u3087\u3046\u3002<\/p>\n

\u967d\u6027\u5316\u5408\u7269\u304c1%\u3057\u304b\u542b\u307e\u308c\u3066\u3044\u306a\u3044\u975e\u5e38\u306b\u4e0d\u5747\u8861\u306a\u30c7\u30fc\u30bf\u3067\u3059\u3002<\/p>\n

\u4e88\u6e2c\u30e2\u30c7\u30eb\u304c\u5b8c\u5168\u306b\u30e9\u30f3\u30c0\u30e0\u306a\u7b54\u3048\u3092\u8fd4\u3059\u3068\u3059\u308b\u3068\u30fb\u30fb\u30fb<\/p>\n

 <\/p>\n

TP\uff08True Positives\uff09: \u7d045\u30b5\u30f3\u30d7\u30eb
\n TN\uff08True Negatives\uff09: \u7d04495\u30b5\u30f3\u30d7\u30eb
\n FP\uff08False Positives\uff09: \u7d04495\u30b5\u30f3\u30d7\u30eb
\n FN\uff08False Negatives\uff09: \u7d045\u30b5\u30f3\u30d7\u30eb<\/p>\n

 <\/p>\n

\u3068\u306a\u308a\u307e\u3059\u306e\u3067\u3001\u5404\u6307\u6a19\u306e\u8a08\u7b97\u5f0f\u306b\u5f53\u3066\u306f\u3081\u3066\u8a08\u7b97\u3057\u3066\u307f\u308b\u3068\u3001<\/p>\n

\u611f\u5ea6 (Sensitivity): 0.5<\/span><\/strong>
\n \u7279\u7570\u5ea6 (Specificity): 0.5<\/span><\/strong>
\n \u967d\u6027\u7684\u4e2d\u7387 (Positive Predictive Value, PPV): 0.01<\/span><\/strong>
\n \u9670\u6027\u7684\u4e2d\u7387 (Negative Predictive Value, NPV): 0.99<\/span><\/strong><\/p>\n

 <\/p>\n

\u3064\u3044\u3067\u306b\u524d\u56de\u7d39\u4ecb\u3057\u305f\u6b63\u78ba\u5ea6\u3082\u8a08\u7b97\u3057\u3066\u307f\u307e\u3057\u3087\u3046\u3002
\n \u6b63\u78ba\u5ea6 (Accuracy): 0.5<\/span><\/strong><\/p>\n

 <\/p>\n

\u967d\u6027\u7684\u4e2d\u7387\uff08PPV\u3001\u9069\u5408\u7387\u3001Precision\uff09<\/span><\/strong>\u306f\u967d\u6027\u3068\u4e88\u6e2c\u3055\u308c\u305f\u5316\u5408\u7269\u306e\u4e2d\u3067\u306e\u6b63\u89e3\u306e\u5272\u5408\u3067\u3059\u306e\u3067\u975e\u5e38\u306b\u5c0f\u3055\u306a\u5024\u3068\u306a\u308a\u307e\u3059\u3002<\/p>\n

\u9670\u6027\u7684\u4e2d\u7387\uff08NPV\uff09<\/span><\/strong>\u306f\u305d\u306e\u9006\u3067\u3059\u306d\u3002<\/p>\n

\u3053\u308c\u3089\u306f\u4e0d\u5747\u8861\u30c7\u30fc\u30bf\u306e\u5f71\u97ff\u306b\u3088\u3063\u3066\u8a55\u4fa1\u57fa\u6e96\u304c\u5909\u5316\u3059\u308b\u6307\u6a19\u3060\u3068\u3044\u3046\u3053\u3068\u3092\u5ff5\u982d\u306b\u7f6e\u3044\u3066\u304a\u304f\u5fc5\u8981\u304c\u3042\u308a\u305d\u3046\u3067\u3059\u3002<\/p>\n

\uff08Ames\/QSAR\u56fd\u969b\u30c1\u30e3\u30ec\u30f3\u30b8\u30d7\u30ed\u30b8\u30a7\u30af\u30c8<\/a>\u306e\u967d\u6027\u30fb\u9670\u6027\u306e\u5272\u5408\u306f15%\u5bfe85%\u3067\u3059\u306e\u3067\u3001\u4e0d\u5747\u8861\u3067\u3042\u308b\u3068\u8a00\u3048\u307e\u3059\u3002\uff09<\/p>\n

 <\/p>\n","protected":false},"excerpt":{"rendered":"

QSAR\u89e3\u6790\u306b\u3088\u308b\u8b58\u5225\u4e88\u6e2c\u6027\u80fd\u3092\u8a55\u4fa1\u3059\u308b\u6307\u6a19\u306f\u6b63\u78ba\u5ea6\uff08Accuracy\uff09\u4ee5\u5916\u306b\u3082\u305f\u304f\u3055\u3093\u3042\u308a\u307e\u3059\u3002 \u3053\u3053\u3067\u306f\u3001\u6bd4\u8f03\u7684\u30b7\u30f3\u30d7\u30eb\u306a\u8a55\u4fa1\u6307\u6a19\u3092\u7d39\u4ecb\u3057\u307e\u3059\u3002   \u307e\u305a\u306f\u5fa9\u7fd2\u3067\u3059\u3002 \u967d\u6027\u30fb\u9670\u6027\u3092\u8b58\u5225\u3059\u308b\u30e2\u30c7\u30eb\u306e\u7d50\u679c\u306f\u771f\u967d […]<\/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-2758","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\/2758","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=2758"}],"version-history":[{"count":0,"href":"https:\/\/u-lab2.my-pharm.ac.jp\/~mminfo\/wp-json\/wp\/v2\/posts\/2758\/revisions"}],"wp:attachment":[{"href":"https:\/\/u-lab2.my-pharm.ac.jp\/~mminfo\/wp-json\/wp\/v2\/media?parent=2758"}],"wp:term":[{"taxonomy":"category","embeddable":true,"href":"https:\/\/u-lab2.my-pharm.ac.jp\/~mminfo\/wp-json\/wp\/v2\/categories?post=2758"},{"taxonomy":"post_tag","embeddable":true,"href":"https:\/\/u-lab2.my-pharm.ac.jp\/~mminfo\/wp-json\/wp\/v2\/tags?post=2758"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}