{"id":755,"date":"2020-02-19T10:37:19","date_gmt":"2020-02-19T01:37:19","guid":{"rendered":"https:\/\/www.insilico.jp\/blog\/?p=755"},"modified":"2021-06-02T08:26:55","modified_gmt":"2021-06-01T23:26:55","slug":"knime_chemical_genomics_based_virtual_screening_2","status":"publish","type":"post","link":"https:\/\/www.insilico.jp\/blog\/2020\/02\/19\/knime_chemical_genomics_based_virtual_screening_2\/","title":{"rendered":"KNIME\u3092\u7528\u3044\u3066\u306eCGBVS\u8a08\u7b97\u3092\u884c\u3044\u307e\u3059\uff08\u5f8c\u7de8\uff09"},"content":{"rendered":"\n<p>\u3053\u306e\u30d6\u30ed\u30b0\u306e\u524d\u7de8\u306f\u6b21\u306e\u30ea\u30f3\u30af\u3067\u62dd\u898b\u3067\u304d\u307e\u3059\uff1a<a href=\"https:\/\/www.insilico.jp\/blog\/2019\/08\/08\/knime%e3%82%92%e7%94%a8%e3%81%84%e3%81%a6cgbvs%e8%a8%88%e7%ae%97%e3%82%92%e8%a1%8c%e3%81%84%e3%81%be%e3%81%99%e3%80%80%ef%bc%88%e5%89%8d%e7%b7%a8%ef%bc%89\/\">KNIME\u3092\u7528\u3044\u3066\u306eCGBVS\u8a08\u7b97\u3092\u884c\u3044\u307e\u3059\uff08\u524d\u7de8\uff09<\/a>\u3002<\/p>\n\n\n\n<p>\u4eca\u56de\u306f\u3001KNIME\u4e0a\u3067CGBVS\u30ef\u30fc\u30af\u30d5\u30ed\u30fc\u3068\u305d\u306e\u5b9f\u884c\u306e\u8a71\u3092\u3055\u305b\u3066\u3044\u305f\u3060\u304d\u307e\u3059\u3002\u4f5c\u696d\u30b9\u30c6\u30c3\u30d7\u306f\u4ee5\u4e0b\u306e\u3088\u3046\u306b\u5206\u3051\u3066\u3044\u307e\u3059\u3002<\/p>\n\n\n\n<ol class=\"wp-block-list\"><li>KNIME\u306e\u8d77\u52d5\u3068\u7a7a\u304d\u30ef\u30fc\u30af\u30d5\u30ed\u30fc\u306e\u4f5c\u6210<\/li><li>\u5165\u529b\u5316\u5408\u7269\u69cb\u9020\u306e\u8aad\u307f\u8fbc\u307f\u8a2d\u5b9a<\/li><li>\u5316\u5408\u7269\u69cb\u9020\u306e\u8a18\u8ff0\u5b50\u7b97\u51fa<\/li><li>CGBVS\u8a08\u7b97\u306e\u8a2d\u5b9a<\/li><li>CGBVS\u8a08\u7b97\u7d50\u679c\u306e\u30c7\u30fc\u30bfFiltering<\/li><li>CGBVS\u8a08\u7b97\u7d50\u679c\u3092\u30d5\u30a1\u30a4\u30eb\u306b\u66f8\u304d\u8fbc\u3080\u307e\u305f\u30b0\u30e9\u30d5\u4f5c\u6210<\/li><\/ol>\n\n\n\n<p>\u305d\u308c\u3067\u306f\u3001\u65e9\u901f\u59cb\u3081\u307e\u3057\u3087\u3046\u3002<\/p>\n\n\n\n<!--more-->\n\n\n\n<h3 class=\"wp-block-heading\">\uff11\uff0eKNIME\u306e\u8d77\u52d5\u3068\u7a7a\u304d\u30ef\u30fc\u30af\u30d5\u30ed\u30fc\u306e\u4f5c\u6210<\/h3>\n\n\n\n<p>\u307e\u305a\u306f\u3001KNIME\u306e\u30a2\u30a4\u30b3\u30f3\u3092\u30af\u30ea\u30c3\u30af\u3059\u308b\u306a\u3069\u3092\u3057\u3066\u3001\u4ee5\u4e0b\u306e\u753b\u50cf\u306e\u3088\u3046\u306bKNIME\u304c\u8d77\u52d5\u3055\u308c\u307e\u3059\u3002<\/p>\n\n\n\n<figure class=\"wp-block-image\"><img loading=\"lazy\" decoding=\"async\" width=\"1024\" height=\"575\" src=\"https:\/\/www.insilico.jp\/blog\/wp-content\/uploads\/2019\/12\/1knime_start-1024x575.png\" alt=\"\" class=\"wp-image-866\" srcset=\"https:\/\/www.insilico.jp\/blog\/wp-content\/uploads\/2019\/12\/1knime_start-1024x575.png 1024w, https:\/\/www.insilico.jp\/blog\/wp-content\/uploads\/2019\/12\/1knime_start-300x168.png 300w, https:\/\/www.insilico.jp\/blog\/wp-content\/uploads\/2019\/12\/1knime_start-768x431.png 768w, https:\/\/www.insilico.jp\/blog\/wp-content\/uploads\/2019\/12\/1knime_start-600x337.png 600w, https:\/\/www.insilico.jp\/blog\/wp-content\/uploads\/2019\/12\/1knime_start.png 1881w\" sizes=\"auto, (max-width: 1024px) 100vw, 1024px\" \/><figcaption>KNIME\u306e\u30b9\u30bf\u30fc\u30c8\u30a6\u30a3\u30f3\u30c9\u30a6\u3067\u3059\u3002<\/figcaption><\/figure>\n\n\n\n<p>\u65b0\u3057\u3044\u30ef\u30fc\u30af\u30d5\u30ed\u30fc\u4f5c\u6210\u3059\u308b\u306b\u306f\u3001\u30e1\u30cb\u30e5\u30fc\u306e\u300cFile\u300d\u2192\u300cNew\u300d\u3092\u30af\u30ea\u30c3\u30af\u3057\u307e\u3059\u3002<\/p>\n\n\n\n<div class=\"wp-block-image\"><figure class=\"aligncenter is-resized\"><img loading=\"lazy\" decoding=\"async\" src=\"https:\/\/www.insilico.jp\/blog\/wp-content\/uploads\/2019\/12\/2file_new-2.png\" alt=\"\" class=\"wp-image-873\" width=\"334\" height=\"456\" srcset=\"https:\/\/www.insilico.jp\/blog\/wp-content\/uploads\/2019\/12\/2file_new-2.png 394w, https:\/\/www.insilico.jp\/blog\/wp-content\/uploads\/2019\/12\/2file_new-2-220x300.png 220w\" sizes=\"auto, (max-width: 334px) 100vw, 334px\" \/><\/figure><\/div>\n\n\n\n<p>\u51fa\u3066\u304d\u305f\u30c0\u30a4\u30a2\u30ed\u30b0\u30fc\u30dc\u30c3\u30af\u30b9\u3067\u300cNew KNIME workflow\u300d\u3092\u9078\u629e\u3057\u3066\u300cNext\u300d\u30dc\u30bf\u30f3\u3092\u30af\u30ea\u30c3\u30af\u3057\u307e\u3059\u3002<\/p>\n\n\n\n<div class=\"wp-block-image\"><figure class=\"aligncenter is-resized\"><img loading=\"lazy\" decoding=\"async\" src=\"https:\/\/www.insilico.jp\/blog\/wp-content\/uploads\/2019\/12\/3new_workflow_next.png\" alt=\"\" class=\"wp-image-869\" width=\"532\" height=\"443\" srcset=\"https:\/\/www.insilico.jp\/blog\/wp-content\/uploads\/2019\/12\/3new_workflow_next.png 831w, https:\/\/www.insilico.jp\/blog\/wp-content\/uploads\/2019\/12\/3new_workflow_next-300x250.png 300w, https:\/\/www.insilico.jp\/blog\/wp-content\/uploads\/2019\/12\/3new_workflow_next-768x640.png 768w, https:\/\/www.insilico.jp\/blog\/wp-content\/uploads\/2019\/12\/3new_workflow_next-600x500.png 600w\" sizes=\"auto, (max-width: 532px) 100vw, 532px\" \/><\/figure><\/div>\n\n\n\n<p>\u6b21\u306e\u30c0\u30a4\u30a2\u30ed\u30b0\u30dc\u30c3\u30af\u30b9\u3067\u30ef\u30fc\u30af\u30d5\u30ed\u30fc\u306e\u540d\u524d\u3068\u305d\u306e\u4fdd\u5b58\u5834\u6240\u3092\u6307\u5b9a\u3057\u3066\u300cFinish\u300d\u3092\u30af\u30ea\u30c3\u30af\u3057\u307e\u3059\u3002<\/p>\n\n\n\n<div class=\"wp-block-image\"><figure class=\"aligncenter is-resized\"><img loading=\"lazy\" decoding=\"async\" src=\"https:\/\/www.insilico.jp\/blog\/wp-content\/uploads\/2019\/12\/3new_workflow_next-1.png\" alt=\"\" class=\"wp-image-874\" width=\"459\" height=\"388\"\/><\/figure><\/div>\n\n\n\n<p>\u4ee5\u4e0b\u306e\u3088\u3046\u306b\u65b0\u3057\u3044\u30ef\u30fc\u30af\u30d5\u30ed\u30fc\u306e\u7a7a\u304d\u30a6\u30a3\u30f3\u30c9\u30a6\u304c\u958b\u304b\u308c\u307e\u3059\u3002<\/p>\n\n\n\n<div class=\"wp-block-image\"><figure class=\"aligncenter is-resized\"><img loading=\"lazy\" decoding=\"async\" src=\"https:\/\/www.insilico.jp\/blog\/wp-content\/uploads\/2019\/12\/5blank_workflow_space.png\" alt=\"\" class=\"wp-image-872\" width=\"532\" height=\"381\" srcset=\"https:\/\/www.insilico.jp\/blog\/wp-content\/uploads\/2019\/12\/5blank_workflow_space.png 940w, https:\/\/www.insilico.jp\/blog\/wp-content\/uploads\/2019\/12\/5blank_workflow_space-300x215.png 300w, https:\/\/www.insilico.jp\/blog\/wp-content\/uploads\/2019\/12\/5blank_workflow_space-768x551.png 768w, https:\/\/www.insilico.jp\/blog\/wp-content\/uploads\/2019\/12\/5blank_workflow_space-600x430.png 600w\" sizes=\"auto, (max-width: 532px) 100vw, 532px\" \/><figcaption>\u7a7a\u304d\u30ef\u30fc\u30af\u30d5\u30ed\u30fc\u30a6\u30a3\u30f3\u30c9\u30a6\u3067\u3059\u3002<\/figcaption><\/figure><\/div>\n\n\n\n<h3 class=\"wp-block-heading\">\uff12\uff0e\u5165\u529b\u5316\u5408\u7269\u69cb\u9020\u306e\u8aad\u307f\u8fbc\u307f\u8a2d\u5b9a<\/h3>\n\n\n\n<p>SDF\u5165\u529b\u30d5\u30a1\u30a4\u30eb\u3092\u8aad\u307f\u8fbc\u3080\u305f\u3081\u3001\u4ee5\u4e0b\u306eNode Repository\u3067\u300cSDF Reader\u300d\u3068\u8a00\u3046node\u3092\u30af\u30ea\u30c3\u30af\u3057\u3066\u30ef\u30fc\u30af\u30d5\u30ed\u30fc\u30a6\u30a3\u30f3\u30c9\u30a6\u307e\u3067\u30c9\u30e9\u30c3\u30b0\u3057\u307e\u3059\u3002\u65b0\u3057\u304f\u8a2d\u7f6e\u3057\u305fnode\u306f\u307e\u3060\u8a2d\u5b9a\u304c\u51fa\u6765\u3066\u3044\u306a\u3044\u305f\u3081\u30d3\u30c3\u30af\u30ea\u30de\u30fc\u30af\u304c\u51fa\u3066\u3044\u307e\u3059\u3002\u307e\u305f\u3001node\u306e\u4e0b\u306b\u8d64\u4fe1\u53f7\u306e\u3088\u3046\u306a\u30de\u30fc\u30af\u3082\u51fa\u3066\u3044\u307e\u3059\u3002<\/p>\n\n\n\n<div class=\"wp-block-image\"><figure class=\"aligncenter is-resized\"><img loading=\"lazy\" decoding=\"async\" src=\"https:\/\/www.insilico.jp\/blog\/wp-content\/uploads\/2019\/12\/7a_node_SDF_reader_dragged-740x1024.png\" alt=\"\" class=\"wp-image-890\" width=\"498\" height=\"688\" srcset=\"https:\/\/www.insilico.jp\/blog\/wp-content\/uploads\/2019\/12\/7a_node_SDF_reader_dragged-740x1024.png 740w, https:\/\/www.insilico.jp\/blog\/wp-content\/uploads\/2019\/12\/7a_node_SDF_reader_dragged-217x300.png 217w, https:\/\/www.insilico.jp\/blog\/wp-content\/uploads\/2019\/12\/7a_node_SDF_reader_dragged-768x1063.png 768w, https:\/\/www.insilico.jp\/blog\/wp-content\/uploads\/2019\/12\/7a_node_SDF_reader_dragged-600x830.png 600w, https:\/\/www.insilico.jp\/blog\/wp-content\/uploads\/2019\/12\/7a_node_SDF_reader_dragged.png 2011w\" sizes=\"auto, (max-width: 498px) 100vw, 498px\" \/><figcaption>SDF Reader node\u3092\u30af\u30ea\u30c3\u30af\u30c9\u30e9\u30c3\u30b0\u3057\u307e\u3059\u3002<\/figcaption><\/figure><\/div>\n\n\n\n<p>SDF Reader node\u3092\u30c0\u30d6\u30eb\u30af\u30ea\u30c3\u30af\u3057\u3066\u8a2d\u5b9a\u30a6\u30a3\u30f3\u30c9\u30a6\u304c\u958b\u304d\u307e\u3059\u3002\u4ee5\u4e0b\u306e\u753b\u50cf\u306e\u3088\u3046\u306b\u5165\u529b\u30d5\u30a1\u30a4\u30eb\u306e\u5834\u6240\u306a\u3069\u3092\u8a2d\u5b9a\u3057\u3066\u300cOK\u300d\u3092\u30af\u30ea\u30c3\u30af\u3057\u307e\u3059\u3002\u300cExtract SDF Blocks\u300d\u306e\u9805\u76ee\u306f\u69cb\u9020\u60c5\u5831\u3092\u53d6\u308a\u51fa\u3059\u3053\u3068\u3067\u3059\u306e\u3067\u3001\u5fc5\u305a\u30af\u30ea\u30c3\u30af\u3057\u3066\u304f\u3060\u3055\u3044\u3002<\/p>\n\n\n\n<div class=\"wp-block-image\"><figure class=\"aligncenter is-resized\"><img loading=\"lazy\" decoding=\"async\" src=\"https:\/\/www.insilico.jp\/blog\/wp-content\/uploads\/2019\/12\/8node_SDF_reader_setting.png\" alt=\"\" class=\"wp-image-877\" width=\"547\" height=\"474\" srcset=\"https:\/\/www.insilico.jp\/blog\/wp-content\/uploads\/2019\/12\/8node_SDF_reader_setting.png 949w, https:\/\/www.insilico.jp\/blog\/wp-content\/uploads\/2019\/12\/8node_SDF_reader_setting-300x260.png 300w, https:\/\/www.insilico.jp\/blog\/wp-content\/uploads\/2019\/12\/8node_SDF_reader_setting-768x667.png 768w, https:\/\/www.insilico.jp\/blog\/wp-content\/uploads\/2019\/12\/8node_SDF_reader_setting-600x521.png 600w\" sizes=\"auto, (max-width: 547px) 100vw, 547px\" \/><figcaption>\u5165\u529b\u306e\u5834\u6240\u3092\u6307\u5b9a\u3057\u3066\u3001\u4e0a\u306e\u3088\u3046\u306b\u30dc\u30c3\u30af\u30b9\u3092\u8a2d\u5b9a\u3092\u884c\u3044\u307e\u3059\u3002<\/figcaption><\/figure><\/div>\n\n\n\n<p>\u8a2d\u5b9a\u306f\u554f\u984c\u306a\u3051\u308c\u3070\u3001\u8d64\u4fe1\u53f7\u306e\u30de\u30fc\u30af\u306f\u9ec4\u8272\u4fe1\u53f7\u306b\u5909\u308f\u308a\u307e\u3059\u3002\u5b9f\u969b\u306b\u30d5\u30a1\u30a4\u30eb\u3092\u8aad\u307f\u8fbc\u3080\u306b\u306fnode\u3092\u53f3\u30af\u30ea\u30c3\u30af\u3057\u3066\u30b3\u30f3\u30c6\u30ad\u30b9\u30c8\u30e1\u30cb\u30e5\u30fc\u3067\u300cExecute\u300d\u3092\u30af\u30ea\u30c3\u30af\u3057\u307e\u3059\u3002Node\u306f\u554f\u984c\u306a\u304f\u52d5\u4f5c\u3057\u305f\u5834\u5408\u3001\u9ec4\u8272\u4fe1\u53f7\u306f\u7dd1\uff08\u9752\uff1f\uff09\u4fe1\u53f7\u306b\u5909\u308f\u308a\u307e\u3059\u3002<\/p>\n\n\n\n<div class=\"wp-block-image\"><figure class=\"aligncenter is-resized\"><img loading=\"lazy\" decoding=\"async\" src=\"https:\/\/www.insilico.jp\/blog\/wp-content\/uploads\/2019\/12\/9node_SDF_reader_execute.png\" alt=\"\" class=\"wp-image-878\" width=\"467\" height=\"551\"\/><figcaption>SDF Reader node\u3092\u5b9f\u884c\u3059\u308b\u65b9\u6cd5\u3067\u3059\u3002<\/figcaption><\/figure><\/div>\n\n\n\n<h3 class=\"wp-block-heading\">\uff13\uff0e\u5316\u5408\u7269\u69cb\u9020\u306e\u8a18\u8ff0\u5b50\u7b97\u51fa<\/h3>\n\n\n\n<p>\u6b21\u306e\u30b9\u30c6\u30c3\u30d7\u306fSDF\u304b\u3089Dragon\u8a18\u8ff0\u5b50\u3092\u4f5c\u6210\u3059\u308b\u8a08\u7b97\u3067\u3059\u3002SDF Reader node\u306e\u3088\u3046\u306bNode Repository\u304b\u3089\u300cDragon 7.0 Descriptors\u300d node\u3092\u30ef\u30fc\u30af\u30d5\u30ed\u30fc\u30a6\u30a3\u30f3\u30c9\u30a6\u307e\u3067\u30af\u30ea\u30c3\u30af\u30c9\u30e9\u30c3\u30b0\u3057\u307e\u3059\u3002<\/p>\n\n\n\n<div class=\"wp-block-image\"><figure class=\"aligncenter is-resized\"><img loading=\"lazy\" decoding=\"async\" src=\"https:\/\/www.insilico.jp\/blog\/wp-content\/uploads\/2019\/12\/10ClickDragDragon7NodeArrow-884x1024.png\" alt=\"\" class=\"wp-image-880\" width=\"484\" height=\"559\" srcset=\"https:\/\/www.insilico.jp\/blog\/wp-content\/uploads\/2019\/12\/10ClickDragDragon7NodeArrow-259x300.png 259w, https:\/\/www.insilico.jp\/blog\/wp-content\/uploads\/2019\/12\/10ClickDragDragon7NodeArrow-768x889.png 768w\" sizes=\"auto, (max-width: 484px) 100vw, 484px\" \/><figcaption>Dragon 7.0 Descriptors node\u3092\u30af\u30ea\u30c3\u30af\u30c9\u30e9\u30c3\u30b0\u3057\u307e\u3059\u3002<\/figcaption><\/figure><\/div>\n\n\n\n<p>SDF Reader node\u306e\u51fa\u529b\u30dd\u30fc\u30c8\uff08node\u306e\u53f3\u5074\u306e\u4e0a\u306e\u4e09\u89d2\uff09\u3092Dragon7\u306e\u5165\u529b\u30dd\u30fc\u30c8\uff08Dragon7 node\u306e\u5de6\u5074\u306e\u4e09\u89d2\uff09\u306b\u7e4b\u304e\u307e\u3059\u3002\u7e4b\u304e\u65b9\u3068\u3057\u3066\u306f\u3001SDF Reader node\u306e\u51fa\u529b\u30dd\u30fc\u30c8\u304b\u3089Dragon7 node\u306e\u5165\u529b\u30dd\u30fc\u30c8\u307e\u3067\u30af\u30ea\u30c3\u30af\u30c9\u30e9\u30c3\u30b0\u3057\u307e\u3059\u3002\u4ee5\u4e0b\u306e\u52d5\u753b\u3092\u53c2\u8003\u306b\u3057\u3066\u304f\u3060\u3055\u3044\u3002<\/p>\n\n\n\n<figure class=\"wp-block-video aligncenter\"><video height=\"372\" style=\"aspect-ratio: 552 \/ 372;\" width=\"552\" controls muted preload=\"auto\" src=\"https:\/\/www.insilico.jp\/blog\/wp-content\/uploads\/2019\/12\/ConnectReaderDragonNodes.m4v\"><\/video><figcaption>Node\u306e\u7e4b\u304e\u65b9<\/figcaption><\/figure>\n\n\n\n<p>Node\u3092\u7dda\u3067\u7e4b\u3044\u3060\u3053\u3068\u3067SDF reader node\u306e\u51fa\u529b\u30c7\u30fc\u30bf\u306f\u76f4\u63a5Dragon7 node\u306e\u5165\u529b\u30dd\u30fc\u30c8\u306b\u5165\u308a\u3001\u51e6\u7406\u3055\u308c\u307e\u3059\u3002\u6b21\u306f\u305d\u306e\u51e6\u7406\u306e\u8a2d\u5b9a\u3092\u884c\u3044\u307e\u3059\u306e\u3067Dragon7 node\u3092\u30c0\u30d6\u30eb\u30af\u30ea\u30c3\u30af\u3057\u307e\u3059\u3002\u958b\u3044\u305f\u30c0\u30a4\u30a2\u30ed\u30b0\u30dc\u30c3\u30af\u30b9\u3067\u4ee5\u4e0b\u306e\u56f3\u306e\u3088\u3046\u306b\u6700\u521d\u306e\u8a2d\u5b9a\u3092\u884c\u3044\u307e\u3059\u3002<\/p>\n\n\n\n<div class=\"wp-block-image\"><figure class=\"aligncenter\"><img loading=\"lazy\" decoding=\"async\" width=\"1024\" height=\"679\" src=\"https:\/\/www.insilico.jp\/blog\/wp-content\/uploads\/2019\/12\/12a_DragonSetMoleculeColumnMolFormat-1024x679.png\" alt=\"\" class=\"wp-image-891\" srcset=\"https:\/\/www.insilico.jp\/blog\/wp-content\/uploads\/2019\/12\/12a_DragonSetMoleculeColumnMolFormat-1024x679.png 1024w, https:\/\/www.insilico.jp\/blog\/wp-content\/uploads\/2019\/12\/12a_DragonSetMoleculeColumnMolFormat-300x199.png 300w, https:\/\/www.insilico.jp\/blog\/wp-content\/uploads\/2019\/12\/12a_DragonSetMoleculeColumnMolFormat-768x510.png 768w, https:\/\/www.insilico.jp\/blog\/wp-content\/uploads\/2019\/12\/12a_DragonSetMoleculeColumnMolFormat-600x398.png 600w\" sizes=\"auto, (max-width: 1024px) 100vw, 1024px\" \/><figcaption>\u5165\u529b\u30d5\u30a1\u30a4\u30eb\u306e\u8a2d\u5b9a\u3092\u884c\u3044\u307e\u3059\u3002<\/figcaption><\/figure><\/div>\n\n\n\n<p>\u8a08\u7b97\u3067\u304d\u308b\u8a18\u8ff0\u5b50\u304c\u591a\u304f\u3042\u308a\u307e\u3059\u304c\u3001CGBVS\u8a08\u7b97\u3067\u4f7f\u7528\u3059\u308b\u8a18\u8ff0\u5b50\u30d6\u30ed\u30c3\u30af\u306e\u307f\u9078\u629e\u3057\u307e\u3059\u3002\u300cDescriptors\u300d\u306e\u30bf\u30d6\u3092\u30af\u30ea\u30c3\u30af\u3057\u3066\u304b\u3089\u300cDeselect all blocks\u300d\u306e\u30dc\u30bf\u30f3\u3092\u30af\u30ea\u30c3\u30af\u3057\u307e\u3059\u3002\u5168\u90e8\u306e\u30d6\u30ed\u30c3\u30af\u304b\u3089\u300c\u2713\u300d\u3092\u5916\u3057\u305f\u5f8c\u3001\u30d6\u30ed\u30c3\u30af1\u30012\u30014\u30015\u30018\u300110\u300111\uff0c22\u300123\u300124\u300128\u3092\u9078\u629e\u3057\u307e\u3059\u3002<\/p>\n\n\n\n<div class=\"wp-block-image\"><figure class=\"aligncenter\"><img loading=\"lazy\" decoding=\"async\" width=\"1024\" height=\"682\" src=\"https:\/\/www.insilico.jp\/blog\/wp-content\/uploads\/2019\/12\/14a_DragonSetSelectDescBlocks-1024x682.png\" alt=\"\" class=\"wp-image-892\" srcset=\"https:\/\/www.insilico.jp\/blog\/wp-content\/uploads\/2019\/12\/14a_DragonSetSelectDescBlocks-1024x682.png 1024w, https:\/\/www.insilico.jp\/blog\/wp-content\/uploads\/2019\/12\/14a_DragonSetSelectDescBlocks-300x200.png 300w, https:\/\/www.insilico.jp\/blog\/wp-content\/uploads\/2019\/12\/14a_DragonSetSelectDescBlocks-768x511.png 768w, https:\/\/www.insilico.jp\/blog\/wp-content\/uploads\/2019\/12\/14a_DragonSetSelectDescBlocks-600x399.png 600w\" sizes=\"auto, (max-width: 1024px) 100vw, 1024px\" \/><figcaption>CGBVS\u3067\u4f7f\u7528\u3059\u308b\u8a18\u8ff0\u5b50\u30d6\u30ed\u30c3\u30af\u3092\u9078\u629e\u3057\u307e\u3059\u3002<\/figcaption><\/figure><\/div>\n\n\n\n<p>\u8a18\u8ff0\u5b50\u8a08\u7b97\u306e\u6761\u4ef6\u3092\u8a2d\u5b9a\u3059\u308b\u5fc5\u8981\u304c\u3042\u308a\u307e\u3059\u306e\u3067\u3001\u300cCalculation\u300d\u306e\u30bf\u30d6\u3092\u30af\u30ea\u30c3\u30af\u3057\u3066\u3001\u4ee5\u4e0b\u306e\u56f3\u306e\u3088\u3046\u306b\u8a2d\u5b9a\u3092\u884c\u3044\u307e\u3059\u3002<\/p>\n\n\n\n<div class=\"wp-block-image\"><figure class=\"aligncenter\"><img loading=\"lazy\" decoding=\"async\" width=\"1024\" height=\"683\" src=\"https:\/\/www.insilico.jp\/blog\/wp-content\/uploads\/2019\/12\/15a_DragonSetCheckRequiredBoxesOK-1024x683.png\" alt=\"\" class=\"wp-image-893\" srcset=\"https:\/\/www.insilico.jp\/blog\/wp-content\/uploads\/2019\/12\/15a_DragonSetCheckRequiredBoxesOK-1024x683.png 1024w, https:\/\/www.insilico.jp\/blog\/wp-content\/uploads\/2019\/12\/15a_DragonSetCheckRequiredBoxesOK-300x200.png 300w, https:\/\/www.insilico.jp\/blog\/wp-content\/uploads\/2019\/12\/15a_DragonSetCheckRequiredBoxesOK-768x512.png 768w, https:\/\/www.insilico.jp\/blog\/wp-content\/uploads\/2019\/12\/15a_DragonSetCheckRequiredBoxesOK-600x400.png 600w\" sizes=\"auto, (max-width: 1024px) 100vw, 1024px\" \/><figcaption>\u8a08\u7b97\u8a2d\u5b9a\u3092\u884c\u3044\u307e\u3059\u3002<\/figcaption><\/figure><\/div>\n\n\n\n<p>\u8a2d\u5b9a\u304c\u7d42\u308f\u3063\u305f\u3089\u3001Dragon7 node\u3092\u5b9f\u884c\u3055\u305b\u307e\u3059\u3002\u4fe1\u53f7\u30de\u30fc\u30af\u304c\u7dd1\u8272\u306b\u5909\u308f\u3063\u305f\u3089\u3001\u8a08\u7b97\u51e6\u7406\u306e\u7d50\u679c\u304c\u78ba\u8a8d\u3067\u304d\u307e\u3059\u3002Dragon7 node\u3092\u53f3\u30af\u30ea\u30c3\u30af\u3057\u3066\u3001\u30b3\u30f3\u30c6\u30ad\u30b9\u30c8\u30e1\u30cb\u30e5\u30fc\u306e\u4e00\u756a\u3057\u305f\u306b\u3042\u308b\u300cCalculated descriptors\u300d\u306e\u9805\u76ee\u3092\u30af\u30ea\u30c3\u30af\u3057\u307e\u3059\u3002\u51fa\u3066\u304d\u305f\u3001\u30dd\u30c3\u30d7\u30a2\u30c3\u30d7\u30a6\u30a3\u30f3\u30c9\u30a6\u3067\u306f\u8a08\u7b97\u306e\u7d50\u679c\u304c\u8868\u793a\u3055\u308c\u307e\u3059\u3002\u78ba\u8a8d\u304c\u7d42\u308f\u3063\u305f\u3089\u30a6\u30a3\u30f3\u30c9\u30a6\u3092\u9589\u3058\u307e\u3059\u3002<\/p>\n\n\n\n<div class=\"wp-block-image\"><figure class=\"aligncenter\"><img loading=\"lazy\" decoding=\"async\" width=\"651\" height=\"643\" src=\"https:\/\/www.insilico.jp\/blog\/wp-content\/uploads\/2019\/12\/16a_DragonSetRightClickNodeCalculatedDesc-2.png\" alt=\"\" class=\"wp-image-898\" srcset=\"https:\/\/www.insilico.jp\/blog\/wp-content\/uploads\/2019\/12\/16a_DragonSetRightClickNodeCalculatedDesc-2.png 651w, https:\/\/www.insilico.jp\/blog\/wp-content\/uploads\/2019\/12\/16a_DragonSetRightClickNodeCalculatedDesc-2-300x296.png 300w, https:\/\/www.insilico.jp\/blog\/wp-content\/uploads\/2019\/12\/16a_DragonSetRightClickNodeCalculatedDesc-2-600x593.png 600w\" sizes=\"auto, (max-width: 651px) 100vw, 651px\" \/><figcaption>\u8a08\u7b97\u51e6\u7406\u306e\u7d50\u679c\u3092\u78ba\u8a8d\u3059\u308b\u305f\u3081\u306e\u64cd\u4f5c<\/figcaption><\/figure><\/div>\n\n\n\n<div class=\"wp-block-image\"><figure class=\"aligncenter is-resized\"><img loading=\"lazy\" decoding=\"async\" src=\"https:\/\/www.insilico.jp\/blog\/wp-content\/uploads\/2019\/12\/16b_DragonCalculatedDesc-1-1024x560.png\" alt=\"\" class=\"wp-image-916\" width=\"587\" height=\"321\" srcset=\"https:\/\/www.insilico.jp\/blog\/wp-content\/uploads\/2019\/12\/16b_DragonCalculatedDesc-1-1024x560.png 1024w, https:\/\/www.insilico.jp\/blog\/wp-content\/uploads\/2019\/12\/16b_DragonCalculatedDesc-1-300x164.png 300w, https:\/\/www.insilico.jp\/blog\/wp-content\/uploads\/2019\/12\/16b_DragonCalculatedDesc-1-768x420.png 768w, https:\/\/www.insilico.jp\/blog\/wp-content\/uploads\/2019\/12\/16b_DragonCalculatedDesc-1-600x328.png 600w, https:\/\/www.insilico.jp\/blog\/wp-content\/uploads\/2019\/12\/16b_DragonCalculatedDesc-1.png 1277w\" sizes=\"auto, (max-width: 587px) 100vw, 587px\" \/><figcaption>\u8a18\u8ff0\u5b50\u8a08\u7b97\u306e\u7d50\u679c\u3067\u3059\u3002<\/figcaption><\/figure><\/div>\n\n\n\n<h3 class=\"wp-block-heading\">\uff14\uff0eCGBVS\u8a08\u7b97\u306e\u8a2d\u5b9a<\/h3>\n\n\n\n<p>\u524d\u306e\u30b9\u30c6\u30c3\u30d7\u3067\u306f\u3001\u5316\u5408\u7269\u306e\u8a18\u8ff0\u5b50\u3092\u8a08\u7b97\u3059\u308b\u3053\u3068\u304c\u3067\u304d\u307e\u3057\u305f\u304c\u3001\u3053\u3061\u3089\u3067\u306fCGBVS\u8a08\u7b97\u3092\u884c\u3044\u307e\u3059\u3002CGBVS\u306e\u5c02\u7528node\u306f\u3042\u308a\u307e\u305b\u3093\u306e\u3067\u3001\u305d\u306e\u4ee3\u308f\u308a\u306b\u300cExternal Tool (Labs)\u300dnode\u3092\u4f7f\u7528\u3057\u307e\u3059\u3002<\/p>\n\n\n\n<p>External Tool (Labs) node\u3092\u30ef\u30fc\u30af\u30d5\u30ed\u30fc\u30a6\u30a3\u30f3\u30c9\u30a6\u306b\u30c9\u30e9\u30c3\u30b0\u3057\u3066Dragon7 node\u3068\u7e4b\u304e\u307e\u3059\u3002<\/p>\n\n\n\n<div class=\"wp-block-image\"><figure class=\"aligncenter is-resized\"><img loading=\"lazy\" decoding=\"async\" src=\"https:\/\/www.insilico.jp\/blog\/wp-content\/uploads\/2019\/12\/22aColumnFIlterDragSetConnect.png\" alt=\"\" class=\"wp-image-900\" width=\"367\" height=\"333\" srcset=\"https:\/\/www.insilico.jp\/blog\/wp-content\/uploads\/2019\/12\/22aColumnFIlterDragSetConnect.png 496w, https:\/\/www.insilico.jp\/blog\/wp-content\/uploads\/2019\/12\/22aColumnFIlterDragSetConnect-300x272.png 300w\" sizes=\"auto, (max-width: 367px) 100vw, 367px\" \/><figcaption>External Tool (Labs) node\u3092Dragon 7.0 Descriptors node\u306b\u7e4b\u304e\u307e\u3059\u3002<\/figcaption><\/figure><\/div>\n\n\n\n<p>External Tool (Labs) node\u3067CGBVS\u8a08\u7b97\u304c\u3067\u304d\u308b\u3088\u3046\u306b\u5fc5\u8981\u306a\u8a2d\u5b9a\u3092\u884c\u3044\u307e\u3059\u3002\u958b\u3044\u305f\u8a2d\u5b9a\u30a6\u30a3\u30f3\u30c9\u30a6\u3067\u306f\u300cExternal Tool\u300d\u30bf\u30d6\u3092\u30af\u30ea\u30c3\u30af\u3057\u3066\u3001\u300cCommand line\u300d\u306e\u30dc\u30c3\u30af\u30b9\u306b\u4ee5\u4e0b\u306e\u3088\u3046\u306a\u30b3\u30fc\u30c9\u3092\u8a18\u5165\u3057\u307e\u3059\u3002<\/p>\n\n\n\n<pre class=\"wp-block-code\"><code>bin\/bash -c \"\/full\/path\/to\/cgbvs predict \/full\/path\/to\/prediction\/model\/std_trans.db SC5A2_HUMAN %inFile% > %outFile%\"<\/code><\/pre>\n\n\n\n<p>\u4e0a\u8a18\u306e\u30b3\u30fc\u30c9\u306f\u30d1\u30fc\u30b9\u306e\u8a2d\u5b9a\u304c\u81ea\u5206\u306e\u30b7\u30b9\u30c6\u30e0\u306b\u5408\u3046\u3088\u3046\u306b\u5185\u5bb9\u3092\u5909\u3048\u3066\u304f\u3060\u3055\u3044\u3002\u4ee5\u4e0b\u306f\u306e\u30b3\u30fc\u30c9\u306e\u8aac\u660e\u3068\u306a\u308a\u307e\u3059\u3002<\/p>\n\n\n\n<ul class=\"wp-block-list\"><li>cgbvs\u3000\u2192\u3000cgbvs\u306e\u5b9f\u884c\u30d5\u30a1\u30a4\u30eb\u3067\u3059<\/li><li>predict\u3000\u2192\u3000cgbvs\u30b9\u30b3\u30a2\u3092\u8a08\u7b97\u3059\u308b\u30b5\u30d6\u30b3\u30de\u30f3\u30c9\u3067\u3059<\/li><li>std_trans.db\u3000\u2192\u3000Transporter\u3092\u5bfe\u8c61\u3059\u308b\u30e2\u30c7\u30ebDB\u3067\u3059\uff08\u5b9f\u969b\u306b\u306fGPCR\u3001Kinase\u306a\u3069\u306e\u4ed6\u306eDB\u30d5\u30a1\u30a4\u30eb\u3082\u3042\u308a\u307e\u3059\uff09<\/li><li>SCA5_HUMAN\u3000\u2192\u3000\u4eca\u56de\u306e\u305f\u3081\u8a2d\u5b9a\u3057\u307e\u3057\u305f\u30bf\u30f3\u30d1\u30af\u540d\u3067\u3059<\/li><li>\uff05inFile\uff05\u3000\u2192\u3000\u5165\u529b\u30d5\u30a1\u30a4\u30eb\u306e\u30d7\u30ec\u30fc\u30b9\u30db\u30eb\u30c0\u30fc\u3067\u3059<\/li><li>\uff05outFile\uff05\u3000\u2192\u3000\u51fa\u529b\u30d5\u30a1\u30a4\u30eb\u306e\u30d7\u30ec\u30fc\u30b9\u30db\u30eb\u30c0\u30fc\u3067\u3059<\/li><\/ul>\n\n\n\n<div class=\"wp-block-image\"><figure class=\"aligncenter is-resized\"><img loading=\"lazy\" decoding=\"async\" src=\"https:\/\/www.insilico.jp\/blog\/wp-content\/uploads\/2019\/12\/18a_ExternalToolsCommandlineBox-1009x1024.png\" alt=\"\" class=\"wp-image-902\" width=\"579\" height=\"587\" srcset=\"https:\/\/www.insilico.jp\/blog\/wp-content\/uploads\/2019\/12\/18a_ExternalToolsCommandlineBox-1009x1024.png 1009w, https:\/\/www.insilico.jp\/blog\/wp-content\/uploads\/2019\/12\/18a_ExternalToolsCommandlineBox-295x300.png 295w, https:\/\/www.insilico.jp\/blog\/wp-content\/uploads\/2019\/12\/18a_ExternalToolsCommandlineBox-768x780.png 768w, https:\/\/www.insilico.jp\/blog\/wp-content\/uploads\/2019\/12\/18a_ExternalToolsCommandlineBox-600x609.png 600w\" sizes=\"auto, (max-width: 579px) 100vw, 579px\" \/><figcaption>CGBVS\u30b3\u30de\u30f3\u30c9\u306e\u8a2d\u5b9a\u3092\u884c\u3044\u307e\u3059\u3002<\/figcaption><\/figure><\/div>\n\n\n\n<p>\u6b21\u306f\u3001\u300cInput File\u300d\u306e\u30bf\u30d6\u3092\u30af\u30ea\u30c3\u30af\u3057\u3066\u5165\u529b\u30d5\u30a1\u30a4\u30eb\u306b\u3064\u3044\u3066\u8a2d\u5b9a\u3092\u884c\u3044\u307e\u3059\u3002\u4ee5\u4e0b\u306e\u56f3\u306e\u3088\u3046\u306b\u3001\u300cExclude\u300d\u306e\u30dc\u30c3\u30af\u30b9\u306b\u300cName\u300d\u9805\u76ee\u306e\u307f\u79fb\u52d5\u3057\u307e\u3059\u3002\u4ed6\u306e\u30d1\u30e9\u30e1\u30bf\u30fc\u3082\u8868\u793a\u3069\u304a\u308a\u8a2d\u5b9a\u3057\u3066\u304f\u3060\u3055\u3044\u3002<\/p>\n\n\n\n<div class=\"wp-block-image\"><figure class=\"aligncenter\"><img loading=\"lazy\" decoding=\"async\" width=\"702\" height=\"714\" src=\"https:\/\/www.insilico.jp\/blog\/wp-content\/uploads\/2019\/12\/19ExternalToolsSetInputFile.png\" alt=\"\" class=\"wp-image-903\" srcset=\"https:\/\/www.insilico.jp\/blog\/wp-content\/uploads\/2019\/12\/19ExternalToolsSetInputFile.png 702w, https:\/\/www.insilico.jp\/blog\/wp-content\/uploads\/2019\/12\/19ExternalToolsSetInputFile-295x300.png 295w, https:\/\/www.insilico.jp\/blog\/wp-content\/uploads\/2019\/12\/19ExternalToolsSetInputFile-600x610.png 600w\" sizes=\"auto, (max-width: 702px) 100vw, 702px\" \/><figcaption>\u5165\u529b\u30d5\u30a1\u30a4\u30eb\u306e\u8a2d\u5b9a\u3092\u884c\u3044\u307e\u3059\u3002<\/figcaption><\/figure><\/div>\n\n\n\n<p>\u300cOutput File\u300d\u306e\u8a2d\u5b9a\u3067\u306f\u3001\u4ee5\u4e0b\u306e\u3088\u3046\u306a\u8a2d\u5b9a\u3067\u3059\u304c\u3001\u5fc5\u305aCSV\u306e\u30dc\u30bf\u30f3\u3092\u30af\u30ea\u30c3\u30af\u3057\u3066\u304f\u3060\u3055\u3044\u3002\u8a2d\u5b9a\u304c\u5b8c\u6210\u3057\u307e\u3057\u305f\u3089\u300cOK\u300d\u30dc\u30bf\u30f3\u3092\u30af\u30ea\u30c3\u30af\u3057\u3066\u304f\u3060\u3055\u3044\u3002<\/p>\n\n\n\n<div class=\"wp-block-image\"><figure class=\"aligncenter\"><img loading=\"lazy\" decoding=\"async\" width=\"702\" height=\"714\" src=\"https:\/\/www.insilico.jp\/blog\/wp-content\/uploads\/2019\/12\/20ExternalToolsSetOutputFile.png\" alt=\"\" class=\"wp-image-904\" srcset=\"https:\/\/www.insilico.jp\/blog\/wp-content\/uploads\/2019\/12\/20ExternalToolsSetOutputFile.png 702w, https:\/\/www.insilico.jp\/blog\/wp-content\/uploads\/2019\/12\/20ExternalToolsSetOutputFile-295x300.png 295w, https:\/\/www.insilico.jp\/blog\/wp-content\/uploads\/2019\/12\/20ExternalToolsSetOutputFile-600x610.png 600w\" sizes=\"auto, (max-width: 702px) 100vw, 702px\" \/><figcaption>\u51fa\u529b\u30d5\u30a1\u30a4\u30eb\u306e\u8a2d\u5b9a\u3092\u884c\u3044\u307e\u3059\u3002<\/figcaption><\/figure><\/div>\n\n\n\n<p>\u3044\u3064\u3082\u306e\u65b9\u6cd5\u3067node\u3092\u5b9f\u884c\u3057\u3066\u304f\u3060\u3055\u3044\u3002\u554f\u984c\u306a\u3051\u308c\u3070\u3001\u6b21\u306e\u30b9\u30c6\u30c3\u30d7\u306b\u9032\u307f\u307e\u3059\u3002<\/p>\n\n\n\n<h3 class=\"wp-block-heading\">\uff15\uff0eCGBVS\u8a08\u7b97\u7d50\u679c\u306e\u30c7\u30fc\u30bfFiltering<\/h3>\n\n\n\n<p>\u524d\u306e\u30b9\u30c6\u30c3\u30d7\u3067\u3001CGBVS\u306e\u8a08\u7b97\u3092\u884c\u3044\u307e\u3057\u305f\u304c\u3001\u7d50\u679c\u30c7\u30fc\u30bf\u306b\u306f\u8981\u3089\u306a\u3044\u90e8\u5206\u304c\u542b\u307e\u308c\u3066\u3044\u308b\u305f\u3081\u3001Filtering\u304c\u5fc5\u8981\u3068\u306a\u308a\u307e\u3059\u3002\u300cColum Filter\u300d node\u3092\u4f7f\u3046\u3053\u3068\u3067\u8981\u3089\u306a\u3044\u30c7\u30fc\u30bf\u3092\u7701\u304d\u5316\u5408\u7269ID\u3068CGBVS\u30b9\u30b3\u30a2\u306e\u307f\u6b8b\u3059\u3053\u3068\u304c\u51fa\u6765\u307e\u3059\u3002<br>Node repository\u304b\u3089Column Filter node\u3092\u30ef\u30fc\u30af\u30d5\u30ed\u30fc\u30a6\u30a3\u30f3\u30c9\u30a6\u307e\u3067\u30c9\u30e9\u30c3\u30b0\u3057\u3001External Tool node\u306b\u7e4b\u304e\u307e\u3059\u3002<\/p>\n\n\n\n<div class=\"wp-block-image\"><figure class=\"aligncenter\"><img loading=\"lazy\" decoding=\"async\" width=\"1024\" height=\"662\" src=\"https:\/\/www.insilico.jp\/blog\/wp-content\/uploads\/2019\/12\/22a_ColumnFIlterDragSetConnect-1024x662.png\" alt=\"\" class=\"wp-image-907\" srcset=\"https:\/\/www.insilico.jp\/blog\/wp-content\/uploads\/2019\/12\/22a_ColumnFIlterDragSetConnect-1024x662.png 1024w, https:\/\/www.insilico.jp\/blog\/wp-content\/uploads\/2019\/12\/22a_ColumnFIlterDragSetConnect-300x194.png 300w, https:\/\/www.insilico.jp\/blog\/wp-content\/uploads\/2019\/12\/22a_ColumnFIlterDragSetConnect-768x496.png 768w, https:\/\/www.insilico.jp\/blog\/wp-content\/uploads\/2019\/12\/22a_ColumnFIlterDragSetConnect-600x388.png 600w\" sizes=\"auto, (max-width: 1024px) 100vw, 1024px\" \/><figcaption>Column Filter node\u3092\u30af\u30ea\u30c3\u30af\u30c9\u30e9\u30c3\u30b0\u3057\u307e\u3059\u3002<\/figcaption><\/figure><\/div>\n\n\n\n<p>Node\u3092\u30c0\u30d6\u30eb\u30af\u30ea\u30c3\u30af\u3057\u3066\u8a2d\u5b9a\u30a6\u30a3\u30f3\u30c9\u30a6\u304c\u958b\u304d\u307e\u3059\u3002\u300cInclude\u300d\u30dc\u30c3\u30af\u30b9\u306e\u306a\u304b\u306b\u300cNAME\u300d\u3068\u30bf\u30f3\u30d1\u30af\u306e\u540d\u524d\u306e\u307f\u5165\u308c\u307e\u3059\u3002\u3053\u306e\u4f8b\u3067\u306f\u3001\u30bf\u30f3\u30d1\u30af\u306e\u540d\u524d\u306f\u300cSC5A2_HUMAN\u300d\u306b\u306a\u3063\u3066\u3044\u307e\u3059\u3002\u300cOK\u300d\u30dc\u30bf\u30f3\u3092\u30af\u30ea\u30c3\u30af\u3057\u3066\u304f\u3060\u3055\u3044\u3002\u305d\u306e\u5f8c\u3001node\u3092\u5b9f\u884c\u3055\u305b\u307e\u3059\u3002<\/p>\n\n\n\n<div class=\"wp-block-image\"><figure class=\"aligncenter\"><img loading=\"lazy\" decoding=\"async\" width=\"746\" height=\"435\" src=\"https:\/\/www.insilico.jp\/blog\/wp-content\/uploads\/2019\/12\/23ColumnFIlterSelectColumns.png\" alt=\"\" class=\"wp-image-908\" srcset=\"https:\/\/www.insilico.jp\/blog\/wp-content\/uploads\/2019\/12\/23ColumnFIlterSelectColumns.png 746w, https:\/\/www.insilico.jp\/blog\/wp-content\/uploads\/2019\/12\/23ColumnFIlterSelectColumns-300x175.png 300w, https:\/\/www.insilico.jp\/blog\/wp-content\/uploads\/2019\/12\/23ColumnFIlterSelectColumns-600x350.png 600w\" sizes=\"auto, (max-width: 746px) 100vw, 746px\" \/><figcaption>\u8981\u3089\u306a\u3044\u9805\u76ee\u3092\u300cExlude\u300d\u306b\u79fb\u52d5\u3057\u3066\u7701\u304d\u307e\u3059\u3002<\/figcaption><\/figure><\/div>\n\n\n\n<p>node\u306e\u30b3\u30f3\u30c6\u30ad\u30b9\u30c8\u30e1\u30cb\u30e5\u30fc\u3067\u300cFiltered table\u300d\u3092\u9078\u629e\u3057\u3066Filtering\u306e\u7d50\u679c\u3092\u78ba\u8a8d\u3057\u307e\u3059\u3002<\/p>\n\n\n\n<div class=\"wp-block-image\"><figure class=\"aligncenter\"><img loading=\"lazy\" decoding=\"async\" width=\"650\" height=\"419\" src=\"https:\/\/www.insilico.jp\/blog\/wp-content\/uploads\/2019\/12\/23b_ColumnFilterShowSelectedColumns.png\" alt=\"\" class=\"wp-image-920\" srcset=\"https:\/\/www.insilico.jp\/blog\/wp-content\/uploads\/2019\/12\/23b_ColumnFilterShowSelectedColumns.png 650w, https:\/\/www.insilico.jp\/blog\/wp-content\/uploads\/2019\/12\/23b_ColumnFilterShowSelectedColumns-300x193.png 300w, https:\/\/www.insilico.jp\/blog\/wp-content\/uploads\/2019\/12\/23b_ColumnFilterShowSelectedColumns-600x387.png 600w\" sizes=\"auto, (max-width: 650px) 100vw, 650px\" \/><figcaption>Filtering\u306e\u7d50\u679c\u3092\u78ba\u8a8d\u3057\u307e\u3059\u3002<\/figcaption><\/figure><\/div>\n\n\n\n<h3 class=\"wp-block-heading\">\uff16\uff0eCGBVS\u8a08\u7b97\u7d50\u679c\u3092\u30d5\u30a1\u30a4\u30eb\u306b\u66f8\u304d\u8fbc\u3080\u307e\u305f\u30b0\u30e9\u30d5\u4f5c\u6210<\/h3>\n\n\n\n<p>\u3053\u3053\u306e\u30b9\u30c6\u30c3\u30d7\u306fCGBVS\u8a08\u7b97\u306e\u7d50\u679c\u30d5\u30a1\u30a4\u30eb\u306b\u4fdd\u5b58\u3059\u308b\u305f\u3081\u306b\u884c\u3044\u307e\u3059\u3002\u3053\u306e\u30d5\u30a1\u30a4\u30eb\u306f\u5225\u306e\u30ef\u30fc\u30af\u30d5\u30ed\u30fc\u3067\u4f7f\u3046\u3053\u3068\u304c\u3067\u304d\u307e\u3059\u3002\u3053\u3053\u3067\u306f\u3001\u30c7\u30fc\u30bf\u3092\u30d5\u30a1\u30a4\u30eb\u306b\u4fdd\u5b58\u3059\u308b\u3059\u308b\u30b9\u30c6\u30c3\u30d7\u3060\u3051\u3067\u306f\u306a\u304f\u3001\u4e26\u884c\u3067\u3001\u4f8b\u3048\u3070\u3001\u30c7\u30fc\u30bf\u304b\u3089\u30b0\u30e9\u30d5\u3092\u4f5c\u6210\u3059\u308b\u3053\u3068\u3082\u3067\u304d\u307e\u3059\u3002<\/p>\n\n\n\n<p>\u5148\u305a\u3001\u300cCSV Writer\u300d node\u3092\u30ef\u30fc\u30af\u30d5\u30ed\u30fc\u30a6\u30a3\u30f3\u30c9\u30a6\u306b\u30c9\u30e9\u30c3\u30b0\u3057\u3066Column Filter node\u3068\u7e4b\u304e\u307e\u3059\u3002CSV Writer node\u3092\u30c0\u30d6\u30eb\u30af\u30ea\u30c3\u30af\u3057\u3066\u8a2d\u5b9a\u3092\u884c\u3044\u307e\u3059\u3002\u6700\u521d\u306b\u958b\u304f\u30bf\u30d6\u3001\u300cSettings\u300d\u3067\u306f\u7d50\u679c\u30d5\u30a1\u30a4\u30eb\u3092\u4fdd\u5b58\u3059\u308b\u30d1\u30fc\u30b9\u3092\u6307\u5b9a\u3057\u307e\u3059\u3002\u307e\u305f\u3001\u300cWrite column header\u300d\u306e\u30c1\u30a7\u30c3\u30af\u30dc\u30c3\u30af\u30b9\u306b\u30c1\u30a7\u30c3\u30af\u3092\u5165\u308c\u307e\u3059<\/p>\n\n\n\n<div class=\"wp-block-image\"><figure class=\"aligncenter is-resized\"><img loading=\"lazy\" decoding=\"async\" src=\"https:\/\/www.insilico.jp\/blog\/wp-content\/uploads\/2019\/12\/25CSVWriterSettingsTab.png\" alt=\"\" class=\"wp-image-910\" width=\"555\" height=\"500\" srcset=\"https:\/\/www.insilico.jp\/blog\/wp-content\/uploads\/2019\/12\/25CSVWriterSettingsTab.png 586w, https:\/\/www.insilico.jp\/blog\/wp-content\/uploads\/2019\/12\/25CSVWriterSettingsTab-300x271.png 300w\" sizes=\"auto, (max-width: 555px) 100vw, 555px\" \/><figcaption>\u51fa\u529b\u30d5\u30a1\u30a4\u30eb\u3092\u6307\u5b9a\u3057\u307e\u3059\u3002<\/figcaption><\/figure><\/div>\n\n\n\n<p>\u300cAdvanced\u300d\u30bf\u30d6\u3067\u306f\u3001\u300cLF line endings (Linux\/Unix style)\u300d\u3092\u30af\u30ea\u30c3\u30af\u3057\u307e\u3059\u3002<\/p>\n\n\n\n<div class=\"wp-block-image\"><figure class=\"aligncenter is-resized\"><img loading=\"lazy\" decoding=\"async\" src=\"https:\/\/www.insilico.jp\/blog\/wp-content\/uploads\/2019\/12\/26CSVWriterAdvancedTab.png\" alt=\"\" class=\"wp-image-911\" width=\"557\" height=\"502\" srcset=\"https:\/\/www.insilico.jp\/blog\/wp-content\/uploads\/2019\/12\/26CSVWriterAdvancedTab.png 585w, https:\/\/www.insilico.jp\/blog\/wp-content\/uploads\/2019\/12\/26CSVWriterAdvancedTab-300x271.png 300w\" sizes=\"auto, (max-width: 557px) 100vw, 557px\" \/><figcaption>Line Endings\u306e\u67a0\u3067\u300cLF line endings  (Linux\/Unix style)\u300d\u3092\u9078\u629e\u3057\u307e\u3059\u3002<\/figcaption><\/figure><\/div>\n\n\n\n<p>\u300cQuotes\u300d\u30bf\u30d6\u3067\u306f\u300cQuote Mode\u300d\u306e\u67a0\u3067\u300cnever\u300d\u3092\u30af\u30ea\u30c3\u30af\u3057\u307e\u3059<\/p>\n\n\n\n<div class=\"wp-block-image\"><figure class=\"aligncenter is-resized\"><img loading=\"lazy\" decoding=\"async\" src=\"https:\/\/www.insilico.jp\/blog\/wp-content\/uploads\/2019\/12\/27CSVWriterQuotesTab.png\" alt=\"\" class=\"wp-image-912\" width=\"561\" height=\"506\" srcset=\"https:\/\/www.insilico.jp\/blog\/wp-content\/uploads\/2019\/12\/27CSVWriterQuotesTab.png 585w, https:\/\/www.insilico.jp\/blog\/wp-content\/uploads\/2019\/12\/27CSVWriterQuotesTab-300x271.png 300w\" sizes=\"auto, (max-width: 561px) 100vw, 561px\" \/><figcaption>Quote Mode\u3092\u300cnever\u300d\u306b\u8a2d\u5b9a\u3057\u307e\u3059\u3002<\/figcaption><\/figure><\/div>\n\n\n\n<p>\u6700\u5f8c\u306b\u3001\u300cEncoding\u300d\u30bf\u30d6\u3067\u300cUTF-8\u300d\u3092\u9078\u629e\u3057\u307e\u3059\u3002\u300cOK\u300d\u30dc\u30bf\u30f3\u3092\u30af\u30ea\u30c3\u30af\u3057\u307e\u3059\u3002<\/p>\n\n\n\n<div class=\"wp-block-image\"><figure class=\"aligncenter is-resized\"><img loading=\"lazy\" decoding=\"async\" src=\"https:\/\/www.insilico.jp\/blog\/wp-content\/uploads\/2019\/12\/28CSVWriterEncodingTab.png\" alt=\"\" class=\"wp-image-913\" width=\"563\" height=\"508\" srcset=\"https:\/\/www.insilico.jp\/blog\/wp-content\/uploads\/2019\/12\/28CSVWriterEncodingTab.png 585w, https:\/\/www.insilico.jp\/blog\/wp-content\/uploads\/2019\/12\/28CSVWriterEncodingTab-300x271.png 300w\" sizes=\"auto, (max-width: 563px) 100vw, 563px\" \/><figcaption>\u30d5\u30a1\u30a4\u30eb encoding\u306f\u300cUTF-\uff18\u300d\u306b\u8a2d\u5b9a\u3057\u307e\u3059\u3002<\/figcaption><\/figure><\/div>\n\n\n\n<p>CSV writer node\u3092\u5b9f\u884c\u3057\u3066\u3001\u4fdd\u5b58\u30d5\u30a1\u30a4\u30eb\u306e\u4e2d\u8eab\u3092\u78ba\u8a8d\u3057\u307e\u3059\u3002<\/p>\n\n\n\n<p>\u5148\u306b\u8ff0\u3079\u305f\u3088\u3046\u306b\u3001\u8a08\u7b97\u7d50\u679c\u306e\u30c7\u30fc\u30bf\u304b\u3089\u30b0\u30e9\u30d5\u3092\u4f5c\u6210\u3059\u308b\u3053\u3068\u304c\u3067\u304d\u307e\u3059\u3002\u305d\u306e\u305f\u3081\u306b\u306f\u300cHistogram\u300dnode\u3092\u4f7f\u3044\u307e\u3059\u3002\u305d\u306enode\u3092\u8a2d\u7f6e\u3057\u3066\u3001\u300cColumn Filter\u300dnode\u306b\u7e4b\u304e\u307e\u3059\u3002Histogram node\u306e\u8a2d\u5b9a\u30a6\u30a3\u30f3\u30c9\u30a6\u306f\u4ee5\u4e0b\u306b\u306a\u308a\u307e\u3059\u304c\u3001\u4eca\u56de\u306e\u30c7\u30fc\u30bf\u306e\u5834\u5408\u306fdefault\u306e\u8a2d\u5b9a\u306e\u307e\u307e\u3067\u4f7f\u3044\u307e\u3059\u3002<\/p>\n\n\n\n<div class=\"wp-block-image\"><figure class=\"aligncenter\"><img loading=\"lazy\" decoding=\"async\" width=\"547\" height=\"608\" src=\"https:\/\/www.insilico.jp\/blog\/wp-content\/uploads\/2019\/12\/30HistogramSettings.png\" alt=\"\" class=\"wp-image-917\" srcset=\"https:\/\/www.insilico.jp\/blog\/wp-content\/uploads\/2019\/12\/30HistogramSettings.png 547w, https:\/\/www.insilico.jp\/blog\/wp-content\/uploads\/2019\/12\/30HistogramSettings-270x300.png 270w\" sizes=\"auto, (max-width: 547px) 100vw, 547px\" \/><figcaption>\u8a2d\u5b9a\u306e\u5909\u66f4\u306f\u5fc5\u8981\u3042\u308a\u307e\u305b\u3093\u3002<\/figcaption><\/figure><\/div>\n\n\n\n<p>Node\u3092\u5b9f\u884c\u3057\u3001\u30b3\u30f3\u30c6\u30ad\u30b9\u30c8\u30e1\u30cb\u30e5\u30fc\u3067\u300cView: Histogram view\u300d\u3092\u9078\u629e\u3057\u3066\u30b0\u30e9\u30d5\u3092\u8868\u793a\u3057\u307e\u3059\u3002Histogram view\u3067\u306f\u300cColumn\/Aggregation Settings\u300d\u30bf\u30d6\u3067\u300cAverage\u300d\u3092\u30af\u30ea\u30c3\u30af\u3059\u308c\u3070\u305d\u308c\u305e\u308c\u306e\u5316\u5408\u7269\u306eCGBVS\u30b9\u30b3\u30a2\u3092\u6bd4\u8f03\u3067\u304d\u307e\u3059\u3002\u57fa\u672c\u7684\u306bCGBVS\u306e\u30b9\u30b3\u30a2\u306f0~1\u306e\u5024\u306b\u306a\u308a\u307e\u3059\u30020.5\u4ee5\u4e0a\u306e\u30b9\u30b3\u30a2\u306fpositive\u7d50\u679c\u3068\u3057\u3066\u5224\u5b9a\u3055\u308c\u307e\u3059\u3002<\/p>\n\n\n\n<div class=\"wp-block-image\"><figure class=\"aligncenter\"><img loading=\"lazy\" decoding=\"async\" width=\"742\" height=\"696\" src=\"https:\/\/www.insilico.jp\/blog\/wp-content\/uploads\/2019\/12\/32GraphView-1.png\" alt=\"\" class=\"wp-image-919\" srcset=\"https:\/\/www.insilico.jp\/blog\/wp-content\/uploads\/2019\/12\/32GraphView-1.png 742w, https:\/\/www.insilico.jp\/blog\/wp-content\/uploads\/2019\/12\/32GraphView-1-300x281.png 300w, https:\/\/www.insilico.jp\/blog\/wp-content\/uploads\/2019\/12\/32GraphView-1-600x563.png 600w\" sizes=\"auto, (max-width: 742px) 100vw, 742px\" 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