{"id":1448,"date":"2021-10-29T12:14:26","date_gmt":"2021-10-29T03:14:26","guid":{"rendered":"https:\/\/www.insilico.jp\/blog\/?p=1448"},"modified":"2021-11-09T13:40:07","modified_gmt":"2021-11-09T04:40:07","slug":"applicability-index","status":"publish","type":"post","link":"https:\/\/www.insilico.jp\/blog\/2021\/10\/29\/applicability-index\/","title":{"rendered":"\u30aa\u30fc\u30d5\u30a1\u30f3\u30bf\u30fc\u30b2\u30c3\u30c8\u306b\u5bfe\u3059\u308b\u4e88\u6e2c\u8a08\u7b97\uff1aApplicability Index\u3092\u8a08\u7b97\u3057\u3066\u307f\u307e\u3057\u305f"},"content":{"rendered":"\n<p>2021\u5e748\u6708\u306b\u767a\u8868\u3055\u305b\u3066\u3044\u305f\u3060\u3044\u305f<a href=\"https:\/\/doi.org\/10.3390\/molecules26175131\">CGBVS\u6cd5\u306e\u8ad6\u6587<\/a>\u3067\u306f\u3001\u5fdc\u7528\u3068\u3057\u3066\u5b66\u7fd2\u30c7\u30fc\u30bf\u306e\u306a\u3044\u30bf\u30fc\u30b2\u30c3\u30c8\u306e\u4e88\u6e2c\u53ef\u80fd\u6027\u306b\u3064\u3044\u3066\u691c\u8a3c\u3057\u3066\u3044\u307e\u3059\u3002\u3053\u306e\u8ad6\u6587\u3067\u306f\u30c7\u30fc\u30bf\u306e\u306a\u3044\u6a19\u7684\u30bf\u30f3\u30d1\u30af\u306b\u5bfe\u3059\u308b\u5316\u5408\u7269\u30b9\u30af\u30ea\u30fc\u30cb\u30f3\u30b0\u306e\u4e88\u6e2c\u7cbe\u5ea6\uff08AUROC\uff09\u3092\u63a8\u5b9a\u3059\u308b\u65b9\u6cd5\u3068\u3057\u3066\u3001<strong>Applicability Index<\/strong> \u3092\u5b9a\u7fa9\u3057\u3066\u3044\u307e\u3059\u3002<\/p>\n\n\n\n<p>\u4eca\u56de\u306f\u5b9f\u969b\u306b\u6211\u3005\u306e\u4fdd\u6709\u3059\u308b\u4e88\u6e2c\u30e2\u30c7\u30eb\uff08Standard\u30e2\u30c7\u30eb\uff09\u3067\u3001GPCR\u3001Kinase\u306b\u3064\u3044\u3066<strong>Applicability Index<\/strong> \u3092\u7b97\u51fa\u3057\u3066\u307f\u307e\u3057\u305f\u306e\u3067\u3054\u7d39\u4ecb\u3057\u305f\u3044\u3068\u601d\u3044\u307e\u3059\u3002\u306a\u304a\u3001\u8ad6\u6587\u3067\u7528\u3044\u305f\u4e88\u6e2c\u30e2\u30c7\u30eb\u306e\u5b66\u7fd2\u30c7\u30fc\u30bf\u306fChEMBL25\u3092\u30d9\u30fc\u30b9\u306b\u3057\u3066\u3044\u307e\u3059\u304c\u3001\u4eca\u56de\u306e\u4e88\u6e2c\u30e2\u30c7\u30eb\u306fChEMBL27\u306e\u30c7\u30fc\u30bf\u3092\u5229\u7528\u3057\u3066\u3044\u307e\u3059\u3002<\/p>\n\n\n\n<p>\u3000\uff0a<strong>Applicability Index<\/strong> \u306b\u3064\u3044\u3066\u306f\u3001\u4ee5\u4e0b\u306e\u30b9\u30e9\u30a4\u30c9\u3092\u53c2\u7167\u304f\u3060\u3055\u3044\u3002<\/p>\n\n\n\n<figure class=\"wp-block-image size-large is-resized\"><img loading=\"lazy\" decoding=\"async\" src=\"https:\/\/www.insilico.jp\/blog\/wp-content\/uploads\/2021\/10\/\u30ad\u30e3\u30d7\u30c1\u30e3-1-1024x704.jpg\" alt=\"\" class=\"wp-image-1477\" width=\"628\" height=\"431\" srcset=\"https:\/\/www.insilico.jp\/blog\/wp-content\/uploads\/2021\/10\/\u30ad\u30e3\u30d7\u30c1\u30e3-1-1024x704.jpg 1024w, https:\/\/www.insilico.jp\/blog\/wp-content\/uploads\/2021\/10\/\u30ad\u30e3\u30d7\u30c1\u30e3-1-300x206.jpg 300w, https:\/\/www.insilico.jp\/blog\/wp-content\/uploads\/2021\/10\/\u30ad\u30e3\u30d7\u30c1\u30e3-1-768x528.jpg 768w, https:\/\/www.insilico.jp\/blog\/wp-content\/uploads\/2021\/10\/\u30ad\u30e3\u30d7\u30c1\u30e3-1-850x584.jpg 850w, https:\/\/www.insilico.jp\/blog\/wp-content\/uploads\/2021\/10\/\u30ad\u30e3\u30d7\u30c1\u30e3-1.jpg 1242w\" sizes=\"auto, (max-width: 628px) 100vw, 628px\" \/><\/figure>\n\n\n\n<p>\u307e\u305a\u3001\u5b66\u7fd2\u30c7\u30fc\u30bf\u304c\u5168\u304f\u7121\u3044\u30aa\u30fc\u30d5\u30a1\u30f3\u3068\u3055\u308c\u308b\u30bf\u30fc\u30b2\u30c3\u30c8\u306fGPCR\u3067575\u30bf\u30fc\u30b2\u30c3\u30c8\u3001Kinase\u3067\u306f13\u30bf\u30fc\u30b2\u30c3\u30c8\u5b58\u5728\u3057\u307e\u3059\u3002\u3053\u308c\u3089\u306b\u305d\u308c\u305e\u308c<strong>Applicability Index<\/strong> \u3092\u7b97\u51fa\u3057\u305f\u3068\u3053\u308d\u3001AUROC\u304c0.7\u4ee5\u4e0a\u3068\u306a\u308b\u3053\u3068\u304c\u671f\u5f85\u3067\u304d\u308b\u6a19\u7684\u30bf\u30f3\u30d1\u30af\u6570\u304cGPCR\u3067\u306f39\u30bf\u30fc\u30b2\u30c3\u30c8\u3001Kinase\u3067\u306f5\u30bf\u30fc\u30b2\u30c3\u30c8\u5b58\u5728\u3059\u308b\u3053\u3068\u304c\u5206\u304b\u308a\u307e\u3057\u305f\u3002<\/p>\n\n\n\n<figure class=\"wp-block-image size-large is-resized\"><img loading=\"lazy\" decoding=\"async\" src=\"https:\/\/www.insilico.jp\/blog\/wp-content\/uploads\/2021\/11\/kinase_apx-1-1024x228.jpg\" alt=\"\" class=\"wp-image-1504\" width=\"697\" height=\"155\" srcset=\"https:\/\/www.insilico.jp\/blog\/wp-content\/uploads\/2021\/11\/kinase_apx-1-1024x228.jpg 1024w, https:\/\/www.insilico.jp\/blog\/wp-content\/uploads\/2021\/11\/kinase_apx-1-300x67.jpg 300w, https:\/\/www.insilico.jp\/blog\/wp-content\/uploads\/2021\/11\/kinase_apx-1-768x171.jpg 768w, https:\/\/www.insilico.jp\/blog\/wp-content\/uploads\/2021\/11\/kinase_apx-1-850x189.jpg 850w, https:\/\/www.insilico.jp\/blog\/wp-content\/uploads\/2021\/11\/kinase_apx-1.jpg 1038w\" sizes=\"auto, (max-width: 697px) 100vw, 697px\" \/><\/figure>\n\n\n\n<p>\u3053\u308c\u3089\u306e\u30bf\u30fc\u30b2\u30c3\u30c8\u306b\u3064\u3044\u3066\u306f\u3001\u3053\u308c\u307e\u3067CGBVS\u3067\u306f\u4e88\u6e2c\u8a08\u7b97\u304c\u4e0d\u53ef\u80fd\u3060\u308d\u3046\u3068\u3057\u3066\u304a\u308a\u307e\u3057\u305f\u304c\u3001GPCR\u3067\u306f39\u30bf\u30fc\u30b2\u30c3\u30c8\u3001Kinase\u3067\u306f7\u30bf\u30fc\u30b2\u30c3\u30c8\u306b\u3064\u3044\u3066\u306fCGBVS\u306b\u3088\u308a\u3001AUROC\u304c0.7\u4ee5\u4e0a\u304c\u671f\u5f85\u3067\u304d\u307e\u3059\u3002<\/p>\n\n\n\n<p><\/p>\n\n\n\n<p>&#8212;\uff1c\u88dc\u8db3\uff1e&#8212;<\/p>\n\n\n\n<p>\u203b\u5404AUROC\u306eThreshold\u306f\u4ee5\u4e0b\u306e\u5024\u3068\u3057\u3066\u3044\u307e\u3059\u3002\u3000<\/p>\n\n\n\n<figure class=\"wp-block-image size-large is-resized\"><img loading=\"lazy\" decoding=\"async\" src=\"https:\/\/www.insilico.jp\/blog\/wp-content\/uploads\/2021\/10\/\u8868\uff12-1-1024x198.png\" alt=\"\" class=\"wp-image-1494\" width=\"696\" height=\"134\" srcset=\"https:\/\/www.insilico.jp\/blog\/wp-content\/uploads\/2021\/10\/\u8868\uff12-1-1024x198.png 1024w, https:\/\/www.insilico.jp\/blog\/wp-content\/uploads\/2021\/10\/\u8868\uff12-1-300x58.png 300w, https:\/\/www.insilico.jp\/blog\/wp-content\/uploads\/2021\/10\/\u8868\uff12-1-768x149.png 768w, https:\/\/www.insilico.jp\/blog\/wp-content\/uploads\/2021\/10\/\u8868\uff12-1-850x165.png 850w, https:\/\/www.insilico.jp\/blog\/wp-content\/uploads\/2021\/10\/\u8868\uff12-1.png 1038w\" sizes=\"auto, (max-width: 696px) 100vw, 696px\" \/><\/figure>\n\n\n\n<p>\u4e0b\u56f3\u306f\u8a08\u7b97\u3057\u305f48\u500b\u306eGPCR\u3068Kinase\u306b\u3064\u3044\u3066\u306elogA(Applicability\u306e\u5bfe\u6570)\u3068AUROC\u3092\u30d7\u30ed\u30c3\u30c8\u3057\u305f\u30b0\u30e9\u30d5\u3067\u3059\u3002<\/p>\n\n\n\n<div class=\"wp-block-columns is-layout-flex wp-container-core-columns-is-layout-1 wp-block-columns-is-layout-flex\">\n<div class=\"wp-block-column is-layout-flow wp-block-column-is-layout-flow\" style=\"flex-basis:100%\">\n<figure class=\"wp-block-gallery aligncenter columns-2 is-cropped wp-block-gallery-1 is-layout-flex wp-block-gallery-is-layout-flex\"><ul class=\"blocks-gallery-grid\"><li class=\"blocks-gallery-item\"><figure><img loading=\"lazy\" decoding=\"async\" width=\"960\" height=\"960\" src=\"https:\/\/www.insilico.jp\/blog\/wp-content\/uploads\/2021\/10\/graph_logA_GPCR-1.png\" alt=\"\" data-id=\"1457\" data-full-url=\"https:\/\/www.insilico.jp\/blog\/wp-content\/uploads\/2021\/10\/graph_logA_GPCR-1.png\" data-link=\"https:\/\/www.insilico.jp\/blog\/?attachment_id=1457\" class=\"wp-image-1457\" srcset=\"https:\/\/www.insilico.jp\/blog\/wp-content\/uploads\/2021\/10\/graph_logA_GPCR-1.png 960w, https:\/\/www.insilico.jp\/blog\/wp-content\/uploads\/2021\/10\/graph_logA_GPCR-1-300x300.png 300w, https:\/\/www.insilico.jp\/blog\/wp-content\/uploads\/2021\/10\/graph_logA_GPCR-1-150x150.png 150w, https:\/\/www.insilico.jp\/blog\/wp-content\/uploads\/2021\/10\/graph_logA_GPCR-1-768x768.png 768w, https:\/\/www.insilico.jp\/blog\/wp-content\/uploads\/2021\/10\/graph_logA_GPCR-1-850x850.png 850w, https:\/\/www.insilico.jp\/blog\/wp-content\/uploads\/2021\/10\/graph_logA_GPCR-1-45x45.png 45w\" sizes=\"auto, (max-width: 960px) 100vw, 960px\" \/><\/figure><\/li><li class=\"blocks-gallery-item\"><figure><img loading=\"lazy\" decoding=\"async\" width=\"960\" height=\"960\" src=\"https:\/\/www.insilico.jp\/blog\/wp-content\/uploads\/2021\/10\/graph_logA_Kinase.png\" alt=\"\" data-id=\"1458\" data-full-url=\"https:\/\/www.insilico.jp\/blog\/wp-content\/uploads\/2021\/10\/graph_logA_Kinase.png\" data-link=\"https:\/\/www.insilico.jp\/blog\/?attachment_id=1458\" class=\"wp-image-1458\" srcset=\"https:\/\/www.insilico.jp\/blog\/wp-content\/uploads\/2021\/10\/graph_logA_Kinase.png 960w, https:\/\/www.insilico.jp\/blog\/wp-content\/uploads\/2021\/10\/graph_logA_Kinase-300x300.png 300w, https:\/\/www.insilico.jp\/blog\/wp-content\/uploads\/2021\/10\/graph_logA_Kinase-150x150.png 150w, https:\/\/www.insilico.jp\/blog\/wp-content\/uploads\/2021\/10\/graph_logA_Kinase-768x768.png 768w, https:\/\/www.insilico.jp\/blog\/wp-content\/uploads\/2021\/10\/graph_logA_Kinase-850x850.png 850w, https:\/\/www.insilico.jp\/blog\/wp-content\/uploads\/2021\/10\/graph_logA_Kinase-45x45.png 45w\" sizes=\"auto, (max-width: 960px) 100vw, 960px\" \/><\/figure><\/li><\/ul><figcaption class=\"blocks-gallery-caption\">\u5de6\u56f3\uff1aGPCR   \u3001 \u53f3\u56f3\uff1aKinase\u3000\u3000\uff0a\u8d64\u3044\u6a2a\u7dda\u306fAUROC=0.7\u3092\u3001\u7e26\u7dda\u306fThreshold\u3092\u793a\u3057\u3066\u3044\u307e\u3059\u3002<\/figcaption><\/figure>\n<\/div>\n<\/div>\n\n\n\n<p><\/p>\n\n\n\n<p>\u307e\u305f\u4eca\u56de\u306f\u3001\u5b66\u7fd2\u30c7\u30fc\u30bf\uff08positive\u30c7\u30fc\u30bf\uff09\u304c100\u500b\u672a\u6e80\u306e\u6a19\u7684\u30bf\u30fc\u30b2\u30c3\u30c8\u306b\u3064\u3044\u3066\u3082<strong>Applicability Index<\/strong>\u3092\u7b97\u51fa\u3057\u3066\u307f\u307e\u3057\u305f\u3002\u305d\u308c\u305e\u308cGPCR\u3067\u306f45\u30bf\u30fc\u30b2\u30c3\u30c8\u3001Kinase\u3067\u306f190\u30bf\u30fc\u30b2\u30c3\u30c8\u3068\u306a\u308a\u307e\u3059\u3002\u3053\u308c\u3089\u306f\u6211\u3005\u306eHP\u3067\u4e88\u6e2c\u30e2\u30c7\u30eb\u306e\u30c7\u30fc\u30bf\u6570\u3092\u516c\u958b\u3057\u3066\u3044\u307e\u3059\u304c\u3001<a href=\"https:\/\/www.insilico.jp\/protlist.php?protfam=gpcr\">\u3053\u308c\u3089\u306e\u30ea\u30b9\u30c8<\/a>\u306e\u25b3\u5370\u306e\u30bf\u30fc\u30b2\u30c3\u30c8\u306b\u306a\u308a\u307e\u3059\u3002<\/p>\n\n\n\n<p>\u3000<strong>Applicability Index\u3000<\/strong>\u306e\u7d50\u679c\u306f\u4ee5\u4e0b\u306e\u3088\u3046\u306b\u306a\u308a\u307e\u3057\u305f\u3002<\/p>\n\n\n\n<figure class=\"wp-block-image size-large is-resized\"><img loading=\"lazy\" decoding=\"async\" src=\"https:\/\/www.insilico.jp\/blog\/wp-content\/uploads\/2021\/10\/\u88683-1-1024x228.png\" alt=\"\" class=\"wp-image-1495\" width=\"660\" height=\"147\" srcset=\"https:\/\/www.insilico.jp\/blog\/wp-content\/uploads\/2021\/10\/\u88683-1-1024x228.png 1024w, https:\/\/www.insilico.jp\/blog\/wp-content\/uploads\/2021\/10\/\u88683-1-300x67.png 300w, https:\/\/www.insilico.jp\/blog\/wp-content\/uploads\/2021\/10\/\u88683-1-768x171.png 768w, https:\/\/www.insilico.jp\/blog\/wp-content\/uploads\/2021\/10\/\u88683-1-850x189.png 850w, https:\/\/www.insilico.jp\/blog\/wp-content\/uploads\/2021\/10\/\u88683-1.png 1038w\" sizes=\"auto, (max-width: 660px) 100vw, 660px\" \/><\/figure>\n\n\n\n<p>\u3053\u308c\u307e\u3067\u3001\u3053\u308c\u3089\u306e\u5b66\u7fd2\u30c7\u30fc\u30bf\u304c100\u500b\u672a\u6e80\u306e\u30bf\u30fc\u30b2\u30c3\u30c8\u306f\u3001\u30c7\u30fc\u30bf\u91cf\u304c\u5c11\u306a\u3044\u3053\u3068\u304b\u3089\u3001CGBVS\u3067\u306e\u4e88\u6e2c\u8a08\u7b97\u306f\u53ef\u80fd\u3067\u306f\u3042\u308b\u3082\u306e\u306e\u7cbe\u5ea6\u306e\u9762\u3067\u4e0d\u5b89\u304c\u3042\u308a\u307e\u3057\u305f\u3002\u3067\u3059\u304c\u3001\u4eca\u56de\u306e<strong>Applicability Index<\/strong> \u306e\u7d50\u679c\u3092\u307f\u307e\u3059\u3068\u3001GPCR\u306f45\u30bf\u30fc\u30b2\u30c3\u30c8\u4e2d25\u30bf\u30fc\u30b2\u30c3\u30c8\u3001Kinase\u306b\u3064\u3044\u3066\u306f190\u30bf\u30fc\u30b2\u30c3\u30c8\u4e2d153\u500b\u304c\u3001AUROC\u304c0.7\u4ee5\u4e0a\u3068\u306a\u308b\u3088\u3046\u306a\u7cbe\u5ea6\u304c\u671f\u5f85\u3067\u304d\u308b\u3068\u8a00\u3048\u305d\u3046\u3067\u3059\u3002<\/p>\n\n\n\n<p>\u8ad6\u6587\u3067\u306f\u3001\u5b66\u7fd2\u30c7\u30fc\u30bf\u306e\u306a\u3044\u30aa\u30fc\u30d5\u30a1\u30f3\u30bf\u30fc\u30b2\u30c3\u30c8\u306e\u70ba\u306b<strong>Applicability Index<\/strong> \u3092\u5b9a\u7fa9\u3057\u307e\u3057\u305f\u304c\u3001\u5b66\u7fd2\u30c7\u30fc\u30bf\u304c\u5c11\u306a\u3044\u30bf\u30fc\u30b2\u30c3\u30c8\u306b\u5bfe\u3057\u3066\u3082\u3001\u4e88\u6e2c\u7cbe\u5ea6\u306e\u4fe1\u983c\u6027\u3092\u6e2c\u308b\u4e00\u3064\u306e\u6307\u6a19\u3068\u3057\u3066\u4f7f\u3048\u308b\u3082\u306e\u3068\u601d\u3044\u307e\u3059\u3002<\/p>\n\n\n\n<p><\/p>\n\n\n\n<p><\/p>\n\n\n\n<p>\u4eca\u5f8c\u3001\u30aa\u30fc\u30d5\u30a1\u30f3\u3084\u4e88\u6e2c\u30e2\u30c7\u30eb\u306e\u4e3b\u8981\u30d5\u30a1\u30df\u30ea\u30fc\u306b\u3064\u3044\u3066\u306f\u3001\u305d\u308c\u305e\u308c<strong>Applicability Index <\/strong>\u3092\u7b97\u51fa\u3057\u3066\u3044\u304f\u4e88\u5b9a\u306b\u3057\u3066\u304a\u308a\u307e\u3059\u3002\u7d50\u679c\u304c\u51fa\u307e\u3057\u305f\u3089\u30ea\u30b9\u30c8\u5316\u3057\u3066HP\u3067\u516c\u958b\u3059\u308b\u306a\u3069\u304a\u77e5\u3089\u305b\u3067\u304d\u308b\u3088\u3046\u306b\u3057\u305f\u3044\u3068\u601d\u3044\u307e\u3059\u3002<\/p>\n\n\n\n<p><\/p>\n\n\n\n<p><\/p>\n\n\n\n<p><\/p>\n\n\n\n<p><span class=\"has-inline-color has-vivid-red-color\">\u8ffd\u8a18\uff082021.11.09\uff09<\/span>\u3000GPCR\u3001Kinase\u3001Protease \u306b\u3064\u3044\u3066\u3001\u30aa\u30fc\u30d5\u30a1\u30f3\u30bf\u30fc\u30b2\u30c3\u30c8\u3067\u8a08\u7b97\u53ef\u80fd\u306a<a href=\"https:\/\/www.insilico.jp\/protlist.html\">\u30ea\u30b9\u30c8\u3092\u516c\u958b<\/a>\u3057\u3066\u3044\u307e\u3059\u3002<\/p>\n\n\n\n<p><\/p>\n\n\n\n<p>\u3000<\/p>\n\n\n\n<p><\/p>\n\n\n\n<p><\/p>\n\n\n\n<p><\/p>\n\n\n\n<p><\/p>\n\n\n\n<p><\/p>\n\n\n\n<p><\/p>\n\n\n\n<p><\/p>\n","protected":false},"excerpt":{"rendered":"<p>2021\u5e748\u6708\u306b\u767a\u8868\u3055\u305b\u3066\u3044\u305f\u3060\u3044\u305fCGBVS\u6cd5\u306e\u8ad6\u6587\u3067\u306f\u3001\u5fdc\u7528\u3068\u3057\u3066\u5b66\u7fd2\u30c7\u30fc\u30bf\u306e\u306a\u3044\u30bf\u30fc\u30b2\u30c3\u30c8\u306e\u4e88\u6e2c\u53ef\u80fd\u6027\u306b\u3064\u3044\u3066\u691c\u8a3c\u3057\u3066\u3044\u307e\u3059\u3002\u3053\u306e\u8ad6\u6587\u3067\u306f\u30c7\u30fc\u30bf\u306e\u306a\u3044\u6a19\u7684\u30bf\u30f3\u30d1\u30af\u306b\u5bfe\u3059\u308b\u5316\u5408\u7269\u30b9\u30af\u30ea\u30fc\u30cb\u30f3\u30b0\u306e\u4e88\u6e2c\u7cbe\u5ea6\uff08AUROC\uff09&#8230;<\/p>\n","protected":false},"author":2,"featured_media":0,"comment_status":"closed","ping_status":"closed","sticky":false,"template":"","format":"standard","meta":{"footnotes":""},"categories":[4,20,38],"tags":[41,44,42,43],"class_list":["post-1448","post","type-post","status-publish","format-standard","hentry","category-cgbvs-czeeks","category-dragon-alvadesc","category-machine-learning","tag-applicability-index","tag-auroc","tag-orphan-targets","tag-43"],"yoast_head":"<!-- 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