{"id":2835,"date":"2024-01-10T23:39:44","date_gmt":"2024-01-10T14:39:44","guid":{"rendered":"https:\/\/u-lab.my-pharm.ac.jp\/~mminfo\/?p=2835"},"modified":"2026-01-07T15:09:42","modified_gmt":"2026-01-07T06:09:42","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%91%ef%bc%91%ef%bc%9a%e8%a9%95%e4%be%a1%e6%8c%87%e6%a8%99%e3%81%ae%e5%88%86","status":"publish","type":"post","link":"https:\/\/u-lab2.my-pharm.ac.jp\/~mminfo\/blog\/2835\/","title":{"rendered":"\u5316\u5b66\u69cb\u9020\u306b\u3088\u308b\u5909\u7570\u539f\u6027\u4e88\u6e2c\uff11\uff11\uff1a\u8a55\u4fa1\u6307\u6a19\u306e\u5206\u5e03"},"content":{"rendered":"\n<p>\u3044\u3088\u3044\u3088\u7b2c\uff11\u56de\u3068\u7b2c\uff12\u56de\u306e<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>\u306e<a href=\"https:\/\/www.preprints.org\/manuscript\/202401.0601\/v1\/download\/supplementary\">\u96c6\u8a08\u7d50\u679c<\/a>\u3092\u4f7f\u3063\u3066\u30c7\u30fc\u30bf\u89e3\u6790\u3092\u59cb\u3081\u307e\u3059\u3002<\/p>\n\n\n\n<p>\u89e3\u6790\u306e\u76ee\u7684\u306f\u3001<a href=\"https:\/\/u-lab2.my-pharm.ac.jp\/~mminfo\/wordpress\/blog\/2782\/\">\u524d\u56de<\/a>\u306e\u6700\u5f8c\u306b\u8ff0\u3079\u305f\u30b3\u30ec\u3067\u3059\u3002<\/p>\n\n\n\n<p><strong>\u300e<\/strong><span style=\"color: #ff0000;\"><strong>MultiCASE\u793e\u306eBM_PHARMA\u3068\u660e\u6cbb\u85ac\u79d1\u5927\u5b66\u30e2\u30c7\u30eb\u306e<span style=\"font-size: 20px;\">\u300c\u771f\u306e\u6027\u80fd\u300d<\/span>\u306f\u3069\u3061\u3089\u304c\u512a\u308c\u3066\u3044\u308b\u306e\u3067\u3057\u3087\u3046\u304b\uff1f<\/strong><\/span><br>\n \u3053\u306e\u6bd4\u8f03\u3092\u5b9f\u73fe\u3059\u308b\u305f\u3081\u306b\u3001\u5168\u3066\u306e\u30e2\u30c7\u30eb\u306b\u304a\u3044\u3066<strong><span style=\"color: #0000ff;\">\u30ab\u30d0\u30fc\u7387\u304c100%\u306e\u3068\u304d\u306e\u8a55\u4fa1\u7d50\u679c\u3092\u89e3\u6790\u7684\u306b\u63a8\u5b9a<\/span><\/strong>\u3057\u3066\u307f\u307e\u3057\u3087\u3046\u3002<strong>\u300f<\/strong><\/p>\n\n\n\n<p>&nbsp;<\/p>\n\n\n\n<p>\u3055\u3066\u3001\u96c6\u8a08\u7d50\u679c\u3092\u683c\u7d0d\u3057\u305f<a href=\"https:\/\/www.preprints.org\/manuscript\/202401.0601\/v1\/download\/supplementary\">Excel\u8868<\/a>\u306b\u306f<br>\n <strong><span style=\"color: #ff0000;\">Project No\u5217\u3001Phase\u5217\u3001Teams\u5217\u3001Tool No\u5217\u3001QSAR tools (module)\u5217<\/span><\/strong><br>\n \u3068<br>\n <strong><span style=\"color: #ff0000;\">BA (%)\u3001MCC\u3001F1 score (%)\u3001COV (%)<\/span><\/strong><br>\n \u304c\u3042\u308a\u307e\u3059\u3002<br>\n \u3053\u308c\u3089\u304c\u30d7\u30ed\u30b8\u30a7\u30af\u30c8\u8ad6\u6587\u304b\u3089\u62bd\u51fa\u3055\u308c\u305f\u60c5\u5831\u3067\u3059\u3002<\/p>\n\n\n\n<p>\u4e00\u65b9\u3001\u3053\u308c\u3089\u4ee5\u5916\u306b\u3082<strong><span style=\"color: #000000;\">PC1\u5217\u3084Johnson Sb[COV (%)]\u5217\u306a\u3069\u306a\u3069<\/span><\/strong>\u304c\u683c\u7d0d\u3055\u308c\u3066\u3044\u307e\u3059\u304c\u3001\u3053\u308c\u3089\u306f\u89e3\u6790\u7d50\u679c\u3067\u3059\u306e\u3067\u8ffd\u3063\u3066\u89e3\u8aac\u3057\u3066\u3044\u304d\u307e\u3059\u3002<\/p>\n\n\n\n<p>&nbsp;<\/p>\n\n\n\n<p>\u5404\u884c\u306b\u306f\u500b\u5225\u306e<strong><span style=\"color: #0000ff;\">QSAR tool\u3068\u305d\u306e\u4e88\u6e2c\u6027\u80fd<\/span><\/strong>\u304c\u8a18\u8f09\u3055\u308c\u3066\u3044\u307e\u3059\u3002<br>\n <span style=\"font-size: 10px;\">\uff08\u3061\u306a\u307f\u306b\u3001\u6a2a\u65b9\u5411\u306e\u60c5\u5831\u3092\u300c\u884c\u300d\u3001\u7e26\u65b9\u5411\u306e\u60c5\u5831\u3092\u300c\u5217\u300d\u3068\u8a00\u3044\u307e\u3059\uff09<\/span><\/p>\n\n\n\n<p><strong><span style=\"color: #ff0000;\">Project No\u5217<\/span><\/strong>\u306b\u306f\u5404QSAR tool\u304c\u7b2c\uff11\u56de\u3068\u7b2c\uff12\u56de\u306e\u3069\u3061\u3089\u306e\u30b3\u30f3\u30da\u3067\u4f7f\u308f\u308c\u305f\u3082\u306e\u304b\u304c\u793a\u3055\u308c\u3066\u3044\u307e\u3059\u3002<br>\n <strong><span style=\"color: #ff0000;\">Phase\u5217<\/span><\/strong>\u306f\u3001\u7b2c\uff11\u56de\u30d7\u30ed\u30b8\u30a7\u30af\u30c8\u306b\u304a\u3051\u308b\uff13\u56de\u306e\u30b3\u30f3\u30da\u306e\u3069\u308c\u306b\u76f8\u5f53\u3059\u308b\u304b\u304c\u66f8\u304b\u308c\u3066\u3044\u307e\u3059\u3002<br>\n <strong><span style=\"color: #ff0000;\">Teams\u5217<\/span><\/strong>\u306fQSAR tool\u306e\u4f5c\u6210\u3092\u62c5\u5f53\u3057\u305f\u4f1a\u793e\u3084\u5927\u5b66\u306a\u3069\u306e\u540d\u79f0\u3067\u3059\u3002<br>\n <strong><span style=\"color: #ff0000;\">Tool No\u5217<\/span><\/strong>\u306b\u306f\u5404QSAR tool\u306b\u9023\u756a\u3092\u4e0e\u3048\u3066\u3044\u307e\u3059\u3002<br>\n \u306a\u304a\u3001\u540c\u540d\u306eQSAR tool\u304c\u8907\u6570\u56de\u4f7f\u308f\u308c\u3066\u3044\u308b\u4f8b\u304c\u6563\u898b\u3055\u308c\u307e\u3057\u305f\u304c\u3001\u3053\u308c\u3089\u306f\u5225\u3005\u306e\u30e2\u30c7\u30eb\u3067\u3042\u308b\u3068\u8003\u3048\u308b\u3053\u3068\u306b\u3057\u307e\u3057\u305f\u3002<br>\n \u305d\u3053\u3067\u3001QSAR tools (module)\u5217\u3067\u306f\u3001\u540c\u540d\u306etool\u306b\u306f\u672b\u5c3e\u306b\u9023\u756a\u3092\u4ed8\u3051\u3066\u533a\u5225\u3059\u308b\u3053\u3068\u306b\u3057\u307e\u3057\u305f\u3002<\/p>\n\n\n\n<p>&nbsp;<\/p>\n\n\n\n<p><strong><span style=\"color: #ff0000;\">BA (%)\u3001MCC\u3001F1 score (%)<\/span><\/strong>\u306f\u30d0\u30e9\u30f3\u30b9\u7cbe\u5ea6\u306a\u3069\u306e\u8a55\u4fa1\u6307\u6a19\u3067\u3059\u3002<br>\n <strong><span style=\"color: #ff0000;\">COV (%)<\/span><\/strong>\u306f\u30ab\u30d0\u30fc\u7387\u3001\u3059\u306a\u308f\u3061\u3001\u4e0a\u8a18\u306e\u6027\u80fd\u8a55\u4fa1\u306b\u4f7f\u7528\u3057\u305f\u5316\u5408\u7269\u306e\u5168\u30c6\u30b9\u30c8\u30bb\u30c3\u30c8\u5316\u5408\u7269\u306b\u5bfe\u3059\u308b\u5272\u5408\u3067\u3059\u3002<\/p>\n\n\n\n<p>\u8a55\u4fa1\u6307\u6a19\u9806\u306b\u4e26\u3073\u66ff\u3048\u308b\u3053\u3068\u306b\u3088\u3063\u3066\u3001<a href=\"https:\/\/u-lab2.my-pharm.ac.jp\/~mminfo\/wordpress\/blog\/2782\/\">\u524d\u56de\u306e\u8a18\u4e8b\u306e\u5185\u5bb9<\/a>\u3092\u78ba\u8a8d\u3059\u308b\u3053\u3068\u304c\u3067\u304d\u307e\u3059\u3002<\/p>\n\n\n\n<p>&nbsp;<\/p>\n\n\n\n<p>\u3053\u308c\u3089\u306e\u8a55\u4fa1\u6307\u6a19\u3092\u5bfe\u8c61\u3068\u3057\u3066\u89e3\u6790\u3057\u3066\u3044\u304d\u307e\u3059\u3002<\/p>\n\n\n\n<p>\u8a55\u4fa1\u6307\u6a19\u306f\u9023\u7d9a\u5909\u6570\u3068\u306a\u3063\u3066\u3044\u307e\u3059\u306e\u3067\u3001\u6700\u521d\u306b\u898b\u308b\u3079\u304d\u306f<strong><span style=\"color: #0000ff;\">\u4e00\u5909\u91cf\u306e\u5206\u5e03<\/span><\/strong>\u3067\u3059\u3002<\/p>\n\n\n\n<p>\u3067\u306f\u3001\u898b\u3066\u307f\u307e\u3057\u3087\u3046\u3002<\/p>\n\n\n\n<figure class=\"wp-block-image size-large\"><img loading=\"lazy\" decoding=\"async\" width=\"1024\" height=\"478\" src=\"https:\/\/u-lab2.my-pharm.ac.jp\/~mminfo\/wordpress\/wp-content\/uploads\/fig1-1024x478.jpg\" alt=\"\" class=\"wp-image-5079\" srcset=\"https:\/\/u-lab2.my-pharm.ac.jp\/~mminfo\/wordpress\/wp-content\/uploads\/fig1-1024x478.jpg 1024w, https:\/\/u-lab2.my-pharm.ac.jp\/~mminfo\/wordpress\/wp-content\/uploads\/fig1-300x140.jpg 300w, https:\/\/u-lab2.my-pharm.ac.jp\/~mminfo\/wordpress\/wp-content\/uploads\/fig1-768x358.jpg 768w, https:\/\/u-lab2.my-pharm.ac.jp\/~mminfo\/wordpress\/wp-content\/uploads\/fig1.jpg 1529w\" sizes=\"auto, (max-width: 1024px) 100vw, 1024px\" \/><\/figure>\n\n\n\n<p>\u6a2a\u68d2\u30b0\u30e9\u30d5\u304c<strong><span style=\"color: #0000ff;\">\u5206\u5e03\u306e\u5f62\u72b6<\/span><\/strong>\u3001\u30d7\u30ed\u30c3\u30c8\u3068\u8d64\u3044\u7dda\u304b\u3089\u306a\u308b\u30b0\u30e9\u30d5\u304c<strong><span style=\"color: #0000ff;\">\u6b63\u898f\u5206\u4f4d\u70b9\u30d7\u30ed\u30c3\u30c8<\/span><\/strong>\u3067\u3059\u3002<\/p>\n\n\n\n<p>\u30d7\u30ed\u30c3\u30c8\u306e\u4e00\u3064\u4e00\u3064\u306f\u4e88\u6e2c\u30e2\u30c7\u30eb\u3092\u793a\u3057\u3066\u3044\u3066\u3001\u5168\u90e8\u3067109\u7a2e\u985e\u3042\u308a\u307e\u3059\u3002<\/p>\n\n\n\n<p>\u6b63\u898f\u5206\u4f4d\u70b9\u30d7\u30ed\u30c3\u30c8\u306e\u8d64\u3044\u76f4\u7dda\u4e0a\u306b\u30d7\u30ed\u30c3\u30c8\u304c\u4e26\u3093\u3067\u3044\u308b\u3068\u6b63\u898f\u5206\u5e03\u306b\u8fd1\u3044\u3053\u3068\u3092\u610f\u5473\u3057\u307e\u3059\u3002<\/p>\n\n\n\n<p>\u8d64\u3044\u7834\u7dda\u306f95\uff05\u4fe1\u983c\u533a\u9593\u3067\u3001\u3053\u3053\u304b\u3089\u306f\u307f\u51fa\u3057\u3066\u3044\u308b\u30d7\u30ed\u30c3\u30c8\u304c\u591a\u3044\u3068\u6b63\u898f\u5206\u5e03\u304b\u3089\u9038\u8131\u3057\u3066\u3044\u308b\u3053\u3068\u304c\u308f\u304b\u308a\u307e\u3059\u3002<\/p>\n\n\n\n<p><strong><span style=\"color: #0000ff;\">\u30d0\u30e9\u30f3\u30b9\u7cbe\u5ea6\u3001MCC\u3001F1\u30b9\u30b3\u30a2\u306f\u306a\u304b\u306a\u304b\u826f\u304f\u6b63\u898f\u5206\u5e03\u3063\u307d\u3044\u5f62\u306b\u306a\u3063\u3066\u3044\u307e\u3059\u3002<\/span><\/strong><\/p>\n\n\n\n<p>\u305d\u3053\u3067\u3001\u3053\u308c\u3089\u306e\u7d71\u5408\u8a55\u4fa1\u6307\u6a19\u306f\u305d\u306e\u307e\u307e\u89e3\u6790\u306b\u4f7f\u7528\u3057\u3066\u3044\u304f\u3053\u3068\u306b\u3057\u307e\u3059\u3002<\/p>\n\n\n\n<p>&nbsp;<\/p>\n\n\n\n<p>\u4e00\u65b9\u3001<strong><span style=\"color: #0000ff;\">\u30ab\u30d0\u30fc\u7387\uff08COV\uff09\u306f\u6b63\u898f\u5206\u5e03\u304b\u3089\u5927\u304d\u304f\u9038\u8131\u3057\u3066\u3044\u308b<\/span><\/strong>\u3053\u3068\u304c\u308f\u304b\u308a\u307e\u3059\u3002<\/p>\n\n\n\n<p>\u5b9f\u306f\u3053\u308c\u304b\u3089\u56de\u5e30\u5206\u6790\u3084\u4e3b\u6210\u5206\u5206\u6790\u3068\u3044\u3063\u305f\u9023\u7d9a\u5909\u6570\u306e\u6bd4\u8f03\u89e3\u6790\u3092\u5b9f\u65bd\u3057\u3066\u3044\u304f\u4e88\u5b9a\u306a\u306e\u3067\u3059\u304c\u3001\u305d\u306e\u3088\u3046\u306a\u5834\u5408\u306b\u30ab\u30d0\u30fc\u7387\u306e\u3088\u3046\u306a\u6975\u7aef\u306a\u5206\u5e03\u306e\u504f\u308a\u3092\u6301\u3063\u305f\u30c7\u30fc\u30bf\u306e\u6271\u3044\u306f\u96e3\u3057\u3044\u3053\u3068\u304c\u826f\u304f\u77e5\u3089\u308c\u3066\u3044\u307e\u3059\u3002<\/p>\n\n\n\n<p>\u305d\u3053\u3067\u3001\u30ab\u30d0\u30fc\u7387\u3092\u306a\u3093\u3068\u304b\u6b63\u898f\u5206\u5e03\u306b\u8fd1\u3065\u3051\u308b\u3088\u3046\u306a\u6570\u5024\u5909\u63db\u306e\u52aa\u529b\u3092\u3057\u307e\u3059\u3002<\/p>\n\n\n\n<p>\u3057\u304b\u3057\u3001\u30ab\u30d0\u30fc\u7387\u306f\u5bfe\u6570\u5909\u63db\u3092\u3046\u307e\u304f\u4f7f\u3063\u3066\u3082\u6b63\u898f\u5206\u5e03\u5316\u3059\u308b\u3053\u3068\u304c\u3067\u304d\u307e\u305b\u3093\u3002<\/p>\n\n\n\n<p>\u3053\u306e\u3088\u3046\u306a\u30c7\u30fc\u30bf\u3092\u30b7\u30b9\u30c6\u30de\u30c6\u30a3\u30c3\u30af\u306b\u6b63\u898f\u5206\u5e03\u5316\u3059\u308b\u5f37\u529b\u306a\u624b\u6cd5\u306b<strong><span style=\"color: #ff0000;\">Johnson\u6b63\u898f\u5316<\/span><\/strong>\u3068\u3044\u3046\u306e\u304c\u3042\u308a\u307e\u3059\u3002<\/p>\n\n\n\n<p>\u30ab\u30d0\u30fc\u7387\u3092Johnson\u6b63\u898f\u5316\u3057\u305f\u7d50\u679c\u304c\u3001<strong><span style=\"color: #0000ff;\">\u300cJohnson Sb[COV(%)]\u300d<\/span><\/strong>\u3067\u3059\u3002<\/p>\n\n\n\n<p>\u3055\u3089\u306b\u3001\u3053\u3053\u304b\u3089\u6fc3\u8272\u3067\u793a\u3055\u308c\u305f\u30ab\u30d0\u30fc\u7387100%\u306e\u4e88\u6e2c\u30e2\u30c7\u30eb\u3092\u9664\u5916\u3057\u305f\u306e\u304c<strong><span style=\"color: #0000ff;\">\u300cJohnson Sb[COV(%)] without COV100%\u300d<\/span><\/strong>\u3067\u3059\u3002<\/p>\n\n\n\n<p>\u307b\u307c\u6b63\u898f\u5316\u304c\u9054\u6210\u3055\u308c\u3066\u3044\u308b\u306e\u304c\u5206\u304b\u308b\u3068\u601d\u3044\u307e\u3059\u3002<\/p>\n\n\n\n<p>\u305d\u3053\u3067\u3001<strong><span style=\"color: #0000ff;\">\u30ab\u30d0\u30fc\u7387\u306e\u8a55\u4fa1\u306b\u306f\u3053\u306eJohson\u6b63\u898f\u5206\u5e03\u5316\u30ab\u30d0\u30fc\u7387\u3092\u63a1\u7528<\/span><\/strong>\u3059\u308b\u3053\u3068\u306b\u3057\u307e\u3059\u3002<\/p>\n\n\n\n<p>&nbsp;<\/p>\n\n\n\n<p>\u6b21\u306f\u3001\u30d0\u30e9\u30f3\u30b9\u7cbe\u5ea6\u3001MCC\u3001F1\u30b9\u30b3\u30a2\u30683\u7a2e\u985e\u3082\u3042\u308b\u7dcf\u5408\u7684\u8a55\u4fa1\u6307\u6a19\u3092\u4e00\u3064\u306b\u307e\u3068\u3081\u3066<strong><span style=\"color: #ff0000;\">\u7d71\u5408\u7684\u8a55\u4fa1\u6307\u6a19<\/span><\/strong>\u3092\u69cb\u7bc9\u3057\u3066\u307f\u307e\u3059\u3002<\/p>\n\n\n\n<p>&nbsp;<\/p>\n\n\n\n<p>&nbsp;<\/p>\n\n\n\n<p>&nbsp;<\/p>\n\n\n\n<p>&nbsp;<\/p>\n","protected":false},"excerpt":{"rendered":"<p>\u3044\u3088\u3044\u3088\u7b2c\uff11\u56de\u3068\u7b2c\uff12\u56de\u306eAmes\/QSAR\u56fd\u969b\u30c1\u30e3\u30ec\u30f3\u30b8\u30d7\u30ed\u30b8\u30a7\u30af\u30c8\u306e\u96c6\u8a08\u7d50\u679c\u3092\u4f7f\u3063\u3066\u30c7\u30fc\u30bf\u89e3\u6790\u3092\u59cb\u3081\u307e\u3059\u3002 \u89e3\u6790\u306e\u76ee\u7684\u306f\u3001\u524d\u56de\u306e\u6700\u5f8c\u306b\u8ff0\u3079\u305f\u30b3\u30ec\u3067\u3059\u3002 \u300eMultiCASE\u793e\u306eBM_PHARMA\u3068\u660e\u6cbb\u85ac\u79d1\u5927\u5b66\u30e2\u30c7\u30eb\u306e\u300c 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