{"id":2765,"date":"2024-01-03T23:58:27","date_gmt":"2024-01-03T14:58:27","guid":{"rendered":"https:\/\/u-lab.my-pharm.ac.jp\/~mminfo\/?p=2765"},"modified":"2024-01-03T23:58:27","modified_gmt":"2024-01-03T14:58:27","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%93%ef%bc%89","status":"publish","type":"post","link":"https:\/\/u-lab2.my-pharm.ac.jp\/~mminfo\/blog\/2765\/","title":{"rendered":"\u5316\u5b66\u69cb\u9020\u306b\u3088\u308b\u5909\u7570\u539f\u6027\u4e88\u6e2c\uff18\uff1a\u8a55\u4fa1\u6307\u6a19\uff08\u30d0\u30e9\u30f3\u30b9\u7cbe\u5ea6\u3001F1\u30b9\u30b3\u30a2\u3001MCC\uff09"},"content":{"rendered":"<p>QSAR\u8b58\u5225\u30e2\u30c7\u30eb\u306b\u4f7f\u7528\u3055\u308c\u308b\u8a55\u4fa1\u6307\u6a19\u306b\u306f\u3001\u5148\u306b\u8ff0\u3079\u305f\u611f\u5ea6\u3001\u7279\u7570\u5ea6\u3001\u967d\u6027\u7684\u4e2d\u7387\u3001\u9670\u6027\u7684\u4e2d\u7387\u3001\u6b63\u78ba\u5ea6\u4ee5\u5916\u306b\u3082\u3001\u3053\u308c\u3089\u306e\u6301\u3064\u6b20\u70b9\u3092\u514b\u670d\u3059\u308b\u305f\u3081\u306b\u8003\u3048\u51fa\u3055\u308c\u305f\u3082\u306e\u304c\u3044\u304f\u3064\u304b\u3042\u308a\u307e\u3059\u3002<\/p>\n<p>\u305d\u306e\u4e2d\u3067\u3001<a href=\"https:\/\/u-lab2.my-pharm.ac.jp\/~mminfo\/wordpress\/blog\/2715\/\">Ames\/QSAR\u56fd\u969b\u30c1\u30e3\u30ec\u30f3\u30b8\u30d7\u30ed\u30b8\u30a7\u30af\u30c8<\/a>\u3067\u63a1\u7528\u3055\u308c\u305f\u6307\u6a19\u3092\u4e2d\u5fc3\u306b\u89e3\u8aac\u3057\u3066\u3044\u304d\u307e\u3059\u3002<\/p>\n<p>&nbsp;<\/p>\n<p>\u524d\u56de\u3001<strong><span style=\"color: #ff0000;\">\u611f\u5ea6\u3068\u7279\u7570\u5ea6<\/span><\/strong>\u306b\u3064\u3044\u3066\u66f8\u304d\u307e\u3057\u305f\u304c\u3001\u5b9f\u306f\u3053\u306e\u4e8c\u3064\u306f\u3057\u3070\u3057\u3070<strong><span style=\"color: #0000ff;\">\u30c8\u30ec\u30fc\u30c9\u30aa\u30d5<\/span><\/strong>\u306e\u95a2\u4fc2\u306b\u3042\u308a\u307e\u3059\u3002<br \/>\n \u3059\u306a\u308f\u3061\u3001QSAR\u89e3\u6790\u3067\u8b58\u5225\u30e2\u30c7\u30eb\u3092\u4f5c\u308b\u3068\u304d\u306b\u611f\u5ea6\u3092\u9ad8\u304f\u3057\u3088\u3046\u3068\u3059\u308b\u3068\u7279\u7570\u5ea6\u304c\u4f4e\u304f\u306a\u308a\u3001\u9006\u306b\u7279\u7570\u5ea6\u3092\u4e0a\u3052\u3088\u3046\u3068\u3059\u308b\u3068\u611f\u5ea6\u304c\u72a0\u7272\u306b\u306a\u308b\u3001\u3068\u3044\u3063\u305f\u95a2\u4fc2\u6027\u304c\u3042\u308a\u307e\u3059\u3002<\/p>\n<p>&nbsp;<\/p>\n<p>\u307e\u305f\u6df7\u540c\u884c\u5217\u3092\u898b\u3066\u307f\u307e\u3057\u3087\u3046\u3002<\/p>\n<table style=\"height: 120px;\" border=\"1\" width=\"368\">\n<tbody>\n<tr>\n<td style=\"width: 115.125px; text-align: center;\"><span style=\"font-size: 20px;\"><strong>\u00a0<\/strong><\/span><\/td>\n<td style=\"width: 127.688px; text-align: center;\"><span style=\"font-size: 20px;\"><strong>\u4e88\u6e2c\u5024<span style=\"color: #ff0000;\">\u967d\u6027<\/span><\/strong><\/span><\/td>\n<td style=\"width: 115.188px; text-align: center;\"><span style=\"font-size: 20px;\"><strong>\u4e88\u6e2c\u5024<span style=\"color: #0000ff;\">\u9670\u6027<\/span><\/strong><\/span><\/td>\n<\/tr>\n<tr>\n<td style=\"width: 115.125px; text-align: center;\"><span style=\"font-size: 20px;\"><strong>\u5b9f\u6e2c\u5024<span style=\"color: #ff0000;\">\u967d\u6027<\/span><\/strong><\/span><\/td>\n<td style=\"width: 127.688px; text-align: center;\"><span style=\"font-size: 20px;\"><strong>TP<\/strong><\/span><\/td>\n<td style=\"width: 115.188px; text-align: center;\"><span style=\"font-size: 20px;\"><strong>FN<\/strong><\/span><\/td>\n<\/tr>\n<tr>\n<td style=\"width: 115.125px; text-align: center;\"><span style=\"font-size: 20px;\"><strong>\u5b9f\u6e2c\u5024<span style=\"color: #0000ff;\">\u9670\u6027<\/span><\/strong><\/span><\/td>\n<td style=\"width: 127.688px; text-align: center;\"><span style=\"font-size: 20px;\"><strong>FP<\/strong><\/span><\/td>\n<td style=\"width: 115.188px; text-align: center;\"><span style=\"font-size: 20px;\"><strong>TN<\/strong><\/span><\/td>\n<\/tr>\n<\/tbody>\n<\/table>\n<p>&nbsp;<\/p>\n<p>\u611f\u5ea6\u306e\u8a08\u7b97\u5f0f\u306f<br \/>\n <strong><span style=\"color: #ff0000;\">\u611f\u5ea6\uff1dTP \/ (TP + FN)<\/span><\/strong><br \/>\n \u3067\u3059\u306e\u3067\u3001\u611f\u5ea6\u3092\u5411\u4e0a\u3055\u305b\u308b\u306b\u306fTP=1\u3001FN=0\u306b\u3059\u308c\u3070\u826f\u3044\u3053\u3068\u306b\u306a\u308a\u307e\u3059\u3002<br \/>\n \u3053\u308c\u3092\u9054\u6210\u3059\u308b\u306b\u306f\u3001\u5168\u3066\u306e\u30b5\u30f3\u30d7\u30eb\u304c\u967d\u6027\u3060\u3068\u4e88\u6e2c\u3057\u3066\u3057\u307e\u3048\u3070\u826f\u3044\u3053\u3068\u306b\u306a\u308a\u307e\u3059\u3002<\/p>\n<p>\u4e88\u6e2c\u5024\u306e<strong><span style=\"color: #0000ff;\">\u967d\u6027\u304c100%\u3001\u9670\u6027\u304c0%<\/span><\/strong>\u3067\u3042\u308c\u3070\u5b9f\u6e2c\u5024\u306b\u306f\u95a2\u4fc2\u306a\u304f<span style=\"color: #0000ff;\"><strong>TP=1\u3001FN=0<\/strong><\/span>\u306b\u306a\u308b\u3053\u3068\u304c\u5206\u304b\u308b\u3068\u601d\u3044\u307e\u3059\u3002<br \/>\n \u3082\u3061\u308d\u3093\u3001\u3053\u306e\u3088\u3046\u306a\u4e88\u6e2c\u3092\u3059\u308b\u3088\u3046\u306a\u30e2\u30c7\u30eb\u3067\u306f\u5b9f\u6e2c\u5024\u3092\u5f53\u3066\u308b\u3053\u3068\u306f\u3067\u304d\u307e\u305b\u3093\u304c\u3001\u611f\u5ea6\u306f\uff11\u306b\u306a\u308a\u307e\u3059\u3002<\/p>\n<p>&nbsp;<\/p>\n<p>\u3067\u306f\u3001\u3053\u306e\u3068\u304d\u306e\u7279\u7570\u5ea6\u306f\u3069\u3046\u306a\u308b\u3067\u3057\u3087\u3046\u304b\u3002<br \/>\n \u7279\u7570\u5ea6\u306e\u8a08\u7b97\u5f0f\u306f<br \/>\n <strong><span style=\"color: #ff0000;\">\u7279\u7570\u5ea6\uff1dTN \/ (TN + FP)<\/span><\/strong><br \/>\n \u3067\u3059\u306e\u3067\u3001\u5168\u3066\u306e\u30b5\u30f3\u30d7\u30eb\u3092\u967d\u6027\u3060\u3068\u7b54\u3048\u308b\u3088\u3046\u306a\u30e2\u30c7\u30eb\u3067\u3059\u3068\u3001TN=0\u306b\u306a\u3063\u3066\u3057\u307e\u3044\u307e\u3059\u3002<\/p>\n<p>&nbsp;<\/p>\n<p>\u306a\u306b\u3082\u4e88\u6e2c\u305b\u305a\u306b\u5168\u90e8\u967d\u6027\u3060\u3068\u7b54\u3048\u308b\u3088\u3046\u306a\u30e2\u30c7\u30eb\u3067\u306f\u3001\u611f\u5ea6\u304c\uff11\u3001\u7279\u7570\u5ea6\u304c\uff10\u306b\u306a\u308b\u3053\u3068\u304c\u5206\u304b\u308a\u307e\u3057\u305f\u3002<br \/>\n \u4f55\u3082\u4e88\u6e2c\u305b\u305a\u306b\u5168\u90e8\u9670\u6027\u3060\u3068\u7b54\u3048\u308c\u3070\u3001\u611f\u5ea6\u3068\u7279\u7570\u5ea6\u306e\u7d50\u679c\u306f\u9006\u8ee2\u3057\u307e\u3059\u3002<br \/>\n \u30c8\u30ec\u30fc\u30c9\u30aa\u30d5\u306b\u306a\u3063\u3066\u3044\u307e\u3059\u3002<\/p>\n<p>\u3053\u306e\u3088\u3046\u306b\u3001\u611f\u5ea6\u3068\u7279\u7570\u5ea6\u306e<strong><span style=\"color: #0000ff;\">\u7247\u65b9\u306b\u6ce8\u76ee\u3057\u3066\u4e88\u6e2c\u30e2\u30c7\u30eb\u306e\u611f\u5ea6\u3092\u8a55\u4fa1\u3057\u3088\u3046\u3068\u3059\u308b\u3068<\/span><span style=\"color: #0000ff;\">\u3001\u4e00\u898b\u3044\u304f\u3089\u3067\u3082\u826f\u3044\u30e2\u30c7\u30eb\u304c\u69cb\u7bc9\u3067\u304d\u308b\u3088\u3046\u306b\u898b\u3048\u3066\u3057\u307e\u3044\u307e\u3059<\/span><\/strong>\u3002<br \/>\n \u3088\u3063\u3066\u3001\u611f\u5ea6\u3068\u7279\u7570\u5ea6\u306f\u5e38\u306b\u3044\u3063\u3057\u3087\u306b\u89b3\u5bdf\u3059\u308b\u5fc5\u8981\u304c\u3042\u308b\u3053\u3068\u306b\u306a\u308a\u307e\u3059\u3002<\/p>\n<p>\n \u305d\u3053\u3067\u3001<strong><span style=\"color: #0000ff;\">\u611f\u5ea6\u3068\u7279\u7570\u5ea6\u306e\u5e73\u5747\u5024<\/span><\/strong>\u3092\u53d6\u308b\u3053\u3068\u306b\u3057\u3066\u307f\u307e\u3057\u3087\u3046\u3002<br \/>\n \u3053\u306e\u5e73\u5747\u5024\u306e\u3053\u3068\u3092<span style=\"font-size: 20px;\"><strong><span style=\"color: #ff0000;\">\u30d0\u30e9\u30f3\u30b9\u7cbe\u5ea6\uff08Balanced Accuracy: BA\uff09<\/span><\/strong><\/span>\u3068\u547c\u3073\u307e\u3059\u3002<br \/>\n \u30d0\u30e9\u30f3\u30b9\u7cbe\u5ea6\u306e\u8a08\u7b97\u5f0f\u306f<br \/>\n <span style=\"font-size: 20px;\"><strong><span style=\"color: #ff0000;\">BA=(\u611f\u5ea6+\u7279\u7570\u5ea6)\/2<\/span><\/strong><\/span><br \/>\n <span style=\"font-size: 20px;\"><strong><span style=\"color: #ff0000;\">\u3000\uff1d{TP\/(TP+FN)+TN\/(FP+TN)}\/2<\/span><\/strong><\/span><br \/>\n \u3068\u306a\u308a\u307e\u3059\u3002<br \/>\n <strong><span style=\"color: #0000ff;\">\u30d0\u30e9\u30f3\u30b9\u7cbe\u5ea6\u306f\u611f\u5ea6\u3001\u7279\u7570\u5ea6\u306b\u504f\u308b\u3053\u3068\u306a\u304f\u3001\u3055\u3089\u306b\u4e0d\u5747\u8861\u30c7\u30fc\u30bf\u3067\u3082\u9069\u5207\u306a\u6027\u80fd\u8a55\u4fa1\u304c\u3067\u304d\u308b\u512a\u308c\u305f\u8a55\u4fa1\u6307\u6a19\u3068\u306a\u308a\u307e\u3059\u3002<\/span><\/strong><\/p>\n<p>&nbsp;<\/p>\n<p>\u6b21\u306b\u3001<strong><span style=\"color: #ff0000;\">\u611f\u5ea6\u3068\u967d\u6027\u7684\u4e2d\u7387<\/span><\/strong>\u306e\u95a2\u4fc2\u3092\u898b\u3066\u307f\u307e\u3057\u3087\u3046\u3002<br \/>\n \u3053\u308c\u3089\u306f<strong><span style=\"color: #0000ff;\">\u771f\u967d\u6027\u30b5\u30f3\u30d7\u30eb\u306e\u5272\u5408<\/span><\/strong>\u3068\u306a\u3063\u3066\u3044\u307e\u3059\u3002<\/p>\n<p>\n \u611f\u5ea6\u306f<br \/>\n <strong><span style=\"color: #ff0000;\">\u611f\u5ea6\uff1dTP \/ (TP + FN)<\/span><\/strong><br \/>\n \u3067\u3059\u304b\u3089\u3001\u300c\u5b9f\u6e2c\u3055\u308c\u305f\u967d\u6027\u30b5\u30f3\u30d7\u30eb\u306e\u4e2d\u3067\u6b63\u3057\u304f\u967d\u6027\u3068\u4e88\u6e2c\u3067\u304d\u305f\u5272\u5408\u300d\u3068\u8868\u73fe\u3067\u304d\u307e\u3059\u3002<br \/>\n \u611f\u5ea6\u306f\u507d\u9670\u6027\uff08FN\uff09\u306b\u3088\u3063\u3066\u654f\u611f\u306b\u5909\u52d5\u3057\u307e\u3059\u3002<\/p>\n<p>\n \u4e00\u65b9\u3001\u967d\u6027\u7684\u4e2d\u7387\u306f<br \/>\n <strong><span style=\"color: #ff0000;\">\u967d\u6027\u7684\u4e2d\u7387\uff1dTP \/ (TP + FP)<\/span><\/strong><br \/>\n \u3067\u3059\u304b\u3089\u3001\u300c\u30e2\u30c7\u30eb\u304c\u967d\u6027\u3068\u4e88\u6e2c\u3057\u305f\u30b5\u30f3\u30d7\u30eb\u306e\u4e2d\u3067\u672c\u5f53\u306b\u967d\u6027\u3060\u3063\u305f\u5272\u5408\u300d\u3067\u3059\u3002<br \/>\n \u967d\u6027\u7684\u4e2d\u7387\u306f\u507d\u967d\u6027\uff08FP\uff09\u306b\u3088\u3063\u3066\u654f\u611f\u306b\u5909\u52d5\u3057\u307e\u3059\u3002<\/p>\n<p>&nbsp;<\/p>\n<p>\u3053\u306e\u3088\u3046\u306b\u3001\u611f\u5ea6\u3068\u967d\u6027\u7684\u4e2d\u7387\u306f\u967d\u6027\u4f8b\u3092\u7570\u306a\u3063\u305f\u5074\u9762\u304b\u3089\u8a55\u4fa1\u3057\u3066\u304a\u308a\u3001\u4e92\u3044\u306b\u5f71\u97ff\u3057\u5408\u3044\u307e\u3059\u3002<\/p>\n<p>\u9ad8\u611f\u5ea6\u3067\u3042\u308c\u3070\u3001\u3059\u3079\u3066\u306e\u88ab\u9a13\u7269\u8cea\u3092\u7db2\u7f85\u7684\u306b\u540c\u5b9a\u3067\u304d\u3001\u6bd2\u6027\u5316\u5408\u7269\u3092\u898b\u9003\u3059\u30ea\u30b9\u30af\u3092\u4f4e\u6e1b\u3067\u304d\u307e\u3059\u3002<\/p>\n<p>\u4e00\u65b9\u3001\u9ad8\u967d\u6027\u7684\u4e2d\u7387\u3067\u3042\u308c\u3070\u540c\u5b9a\u3055\u308c\u305f\u6bd2\u6027\u5316\u5408\u7269\u304c\u771f\u306b\u6709\u6bd2\u3067\u3042\u308b\u3053\u3068\u304c\u4fdd\u8a3c\u3055\u308c\u307e\u3059\u3002<br \/>\n \u6bd2\u6027\u306eQSAR\u30e2\u30c7\u30ea\u30f3\u30b0\u3067\u306f\u3001\u611f\u5ea6\u3068\u967d\u6027\u7684\u4e2d\u7387\u306e\u30d0\u30e9\u30f3\u30b9\u304c\u975e\u5e38\u306b\u91cd\u8981\u3067\u3059\u3002<\/p>\n<p>&nbsp;<\/p>\n<p>\u307e\u305f\u3001\u4f8b\u3048\u3070\u30e2\u30c7\u30eb\u304c\u3088\u308a\u591a\u304f\u306e\u30b1\u30fc\u30b9\u3092\u967d\u6027\u3068\u4e88\u6e2c\u3059\u308b\uff08\u3064\u307e\u308a\u3001\u967d\u6027\u5224\u5b9a\u3092\u7a4d\u6975\u7684\u306b\u884c\u3046\uff09\u5834\u5408\u3001\u3088\u308a\u591a\u304f\u306e\u5b9f\u969b\u306e\u967d\u6027\u4f8b\u3092\u6355\u6349\u3067\u304d\u308b\u305f\u3081\u306b\u611f\u5ea6\u306f\u5411\u4e0a\u3059\u308b\u53ef\u80fd\u6027\u304c\u3042\u308a\u307e\u3059\u3002<\/p>\n<p>\u3057\u304b\u3057\u3001\u540c\u6642\u306b\u507d\u967d\u6027\u304c\u5897\u3048\u308b\u305f\u3081\u306b\u967d\u6027\u7684\u4e2d\u7387\u306f\u4f4e\u4e0b\u3059\u308b\u53ef\u80fd\u6027\u304c\u3042\u308a\u307e\u3059\u3002<\/p>\n<p>\u9006\u306b\u3001\u30e2\u30c7\u30eb\u304c\u3088\u308a\u614e\u91cd\u306b\u967d\u6027\u4e88\u6e2c\u3059\u308b\u5834\u5408\u3001\u967d\u6027\u7684\u4e2d\u7387\u306f\u5411\u4e0a\u3057\u307e\u3059\u304c\u3001\u611f\u5ea6\u306f\u4f4e\u4e0b\u3059\u308b\u53ef\u80fd\u6027\u304c\u3042\u308a\u307e\u3059\u3002<\/p>\n<p>&nbsp;<\/p>\n<p>\u3053\u306e\u305f\u3081\u3001<strong><span style=\"color: #ff0000;\">\u967d\u6027\u7684\u4e2d\u7387\u3068\u611f\u5ea6\u306e\u30d0\u30e9\u30f3\u30b9\u3092\u53d6\u308b\u305f\u3081\u306b\u3001<span style=\"font-size: 20px;\">F1\u30b9\u30b3\u30a2<\/span>\u304c\u4f7f\u7528\u3055\u308c\u307e\u3059\u3002<\/span><\/strong><br \/>\n <strong><span style=\"color: #0000ff;\">F1\u30b9\u30b3\u30a2\u306f\u3001\u967d\u6027\u7684\u4e2d\u7387\u3068\u611f\u5ea6\u306e\u8abf\u548c\u5e73\u5747\u3067\u3059\u3002<\/span><\/strong><br \/>\n \u8abf\u548c\u5e73\u5747\u306b\u306f\u3001\u4e21\u65b9\u306e\u5024\u304c\u9ad8\u3044\u5834\u5408\u306b\u306e\u307f\u9ad8\u3044\u5024\u3092\u793a\u3057\u3001\u7247\u65b9\u306e\u5024\u304c\u6975\u7aef\u306b\u4f4e\u3044\u5834\u5408\u306f\u5168\u4f53\u306e\u30b9\u30b3\u30a2\u3092\u5927\u304d\u304f\u4e0b\u3052\u308b\u50be\u5411\u304c\u3042\u308a\u307e\u3059\u3002<\/p>\n<p>\u306a\u304a\u3001\u967d\u6027\u7684\u4e2d\u7387\u3068\u611f\u5ea6\u306e\u30d0\u30e9\u30f3\u30b9\u306e\u8a71\u3092\u3059\u308b\u3068\u304d\u306f\u3001<strong><span style=\"color: #0000ff;\">\u611f\u5ea6\u3092Recall\u3001\u967d\u6027\u7684\u4e2d\u7387\u3092Precision<\/span><\/strong>\u3068\u8868\u73fe\u3059\u308b\u3053\u3068\u304c\u591a\u3044\u69d8\u3067\u3059\u3002<\/p>\n<p>F1\u30b9\u30b3\u30a2\u306e\u8a08\u7b97\u5f0f\u306f\u6b21\u306e\u901a\u308a\u3067\u3059\u3002<br \/>\n <span style=\"font-size: 20px;\"><strong><span style=\"color: #ff0000;\">F1\uff1d2*(Recall*Precision)\/(Recall+Precision)<\/span><\/strong><\/span><br \/>\n <span style=\"font-size: 20px;\"><strong><span style=\"color: #ff0000;\">\u3000\uff1d2*(TP^2)\/{2*(TP^2)+TP*FP+TP*FN}<\/span><\/strong><\/span><\/p>\n<p>F1\u30b9\u30b3\u30a2\u306f\u3001Ames\u8a66\u9a13\u306e\u4e88\u6e2c\u306e\u3088\u3046\u306a\u967d\u6027\u30af\u30e9\u30b9\u306e\u4e88\u6e2c\u7cbe\u5ea6\u3068\u518d\u73fe\u7387\u3092\u30d0\u30e9\u30f3\u30b9\u826f\u304f\u4fdd\u3064\u3053\u3068\u304c\u91cd\u8981\u306a\u5834\u5408\u306b\u9069\u3057\u3066\u3044\u307e\u3059\u3002<br \/>\n \u3061\u306a\u307f\u306b\u3001\u3053\u306eF1\u30b9\u30b3\u30a2\u306f\u7b2c\uff11\u56de\u306eAmes\/QSAR\u56fd\u969b\u30c1\u30e3\u30ec\u30f3\u30b8\u3067\u306f\u63a1\u7528\u3055\u308c\u3066\u304a\u3089\u305a\u3001\u7b2c\uff12\u56de\u3067\u306f\u3058\u3081\u3066\u5c0e\u5165\u3055\u308c\u307e\u3057\u305f\u3002<\/p>\n<p>&nbsp;<\/p>\n<p>\u6700\u5f8c\u306b\u3001<span style=\"font-size: 20px;\"><strong><span style=\"color: #ff0000;\">\u30de\u30b7\u30e5\u30fc\u30ba\u306e\u76f8\u95a2\u4fc2\u6570\uff08Matthews Correlation Coefficient\uff1aMCC)<\/span><\/strong><\/span>\u3092\u7d39\u4ecb\u3057\u307e\u3059\u3002<br \/>\n MCC\u306f2\u00d72\u306e\u30af\u30ed\u30b9\u8868\u306b\u304a\u3051\u308b\u30ab\u30a4\u4e8c\u4e57\u7d71\u8a08\u91cf\u306b\u95a2\u9023\u3059\u308b\u6307\u6a19\u3067\u3059\u3002<br \/>\n MCC\u306f\u6b21\u306e\u5f0f\u3067\u8868\u3055\u308c\u307e\u3059\u3002<\/p>\n<p><span style=\"font-size: 20px;\"><strong><span style=\"color: #ff0000;\">MCC\uff1d(TP * TN - FP * FN) \/ \u221a{(TP + FP) * (TP + FN) * (TN + FP) * (TN + FN))}<\/span><\/strong><\/span><\/p>\n<p><strong><span style=\"color: #0000ff;\">MCC\u306f\u3001TP\u3001TN\u3001FP\u3001FN\u3092\u542b\u3080\u6df7\u540c\u884c\u5217\u306e4\u3064\u306e\u30ab\u30c6\u30b4\u30ea\u306e\u30d0\u30e9\u30f3\u30b9\u6bd4\u7387\u3092\u8003\u616e\u306b\u5165\u308c\u3066\u3044\u308b\u305f\u3081\u3001\u3088\u308a\u591a\u304f\u306e\u60c5\u5831\u91cf\u304c\u7d71\u5408\u3055\u308c\u3066\u3044\u307e\u3059\u3002<\/span><\/strong><br \/>\n \u30d4\u30a2\u30bd\u30f3\u306e\u76f8\u95a2\u4fc2\u6570\u3068\u540c\u3058\u3088\u3046\u306b\uff0d\uff11\u304b\u3089\uff11\u307e\u3067\u3092\u53d6\u308b\u7d71\u8a08\u91cf\u3067\u3042\u308a\u3001\u4e0d\u5747\u8861\u30c7\u30fc\u30bf\u3067\u3082\u5408\u7406\u6027\u306e\u9ad8\u3044\u8a55\u4fa1\u5024\u3092\u4e0e\u3048\u308b\u3053\u3068\u304c\u3067\u304d\u307e\u3059\u3002<\/p>\n","protected":false},"excerpt":{"rendered":"<p>QSAR\u8b58\u5225\u30e2\u30c7\u30eb\u306b\u4f7f\u7528\u3055\u308c\u308b\u8a55\u4fa1\u6307\u6a19\u306b\u306f\u3001\u5148\u306b\u8ff0\u3079\u305f\u611f\u5ea6\u3001\u7279\u7570\u5ea6\u3001\u967d\u6027\u7684\u4e2d\u7387\u3001\u9670\u6027\u7684\u4e2d\u7387\u3001\u6b63\u78ba\u5ea6\u4ee5\u5916\u306b\u3082\u3001\u3053\u308c\u3089\u306e\u6301\u3064\u6b20\u70b9\u3092\u514b\u670d\u3059\u308b\u305f\u3081\u306b\u8003\u3048\u51fa\u3055\u308c\u305f\u3082\u306e\u304c\u3044\u304f\u3064\u304b\u3042\u308a\u307e\u3059\u3002 \u305d\u306e\u4e2d\u3067\u3001Ames\/QSAR\u56fd\u969b\u30c1\u30e3\u30ec\u30f3\u30b8 [&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-2765","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\/2765","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=2765"}],"version-history":[{"count":0,"href":"https:\/\/u-lab2.my-pharm.ac.jp\/~mminfo\/wp-json\/wp\/v2\/posts\/2765\/revisions"}],"wp:attachment":[{"href":"https:\/\/u-lab2.my-pharm.ac.jp\/~mminfo\/wp-json\/wp\/v2\/media?parent=2765"}],"wp:term":[{"taxonomy":"category","embeddable":true,"href":"https:\/\/u-lab2.my-pharm.ac.jp\/~mminfo\/wp-json\/wp\/v2\/categories?post=2765"},{"taxonomy":"post_tag","embeddable":true,"href":"https:\/\/u-lab2.my-pharm.ac.jp\/~mminfo\/wp-json\/wp\/v2\/tags?post=2765"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}