{"id":4663,"date":"2023-05-22T15:00:55","date_gmt":"2023-05-22T06:00:55","guid":{"rendered":"http:\/\/www-dsc.naist.jp\/dsc_naist\/?p=4663"},"modified":"2023-05-19T10:36:33","modified_gmt":"2023-05-19T01:36:33","slug":"5%e6%9c%88%e5%ad%a6%e5%86%85%e5%85%b1%e5%90%8c%e7%a0%94%e7%a9%b6%e4%bf%83%e9%80%b2%e3%83%88%e3%83%bc%e3%82%af-2","status":"publish","type":"post","link":"http:\/\/www-dsc.naist.jp\/dsc_naist\/5%e6%9c%88%e5%ad%a6%e5%86%85%e5%85%b1%e5%90%8c%e7%a0%94%e7%a9%b6%e4%bf%83%e9%80%b2%e3%83%88%e3%83%bc%e3%82%af-2\/","title":{"rendered":"5\u6708\u5b66\u5185\u5171\u540c\u7814\u7a76\u4fc3\u9032\u30c8\u30fc\u30af"},"content":{"rendered":"<p><span style=\"font-family: georgia, palatino, serif;\"><span style=\"font-size: 12pt;\">5\u6708\u306e\u5b66\u5185\u5171\u540c\u7814\u7a76\u4fc3\u9032\u30c8\u30fc\u30af\u306f\u3001\u8a08\u7b97\u30b7\u30b9\u30c6\u30e0\u30ba\u751f\u7269\u5b66\u7814\u7a76\u5ba4\u306e\u5c0f\u91ce\u76f4\u4eae\u5148\u751f\u306b\u3054\u8b1b\u6f14\u3044\u305f\u3060\u304d\u307e\u3057\u305f\u3002<\/span><\/span><\/p>\n<p><span style=\"font-family: georgia, palatino, serif;\">\u30bf\u30a4\u30c8\u30eb\u3068\u6982\u8981\u306f\u4ee5\u4e0b\u306b\u306a\u308a\u307e\u3059\u3002<\/span><\/p>\n<p><span style=\"font-family: georgia, palatino, serif; font-size: 12pt;\">==================== <\/span><\/p>\n<p>\u5c0f\u91ce\u76f4\u4eae \u51c6\u6559\u6388 (\u8a08\u7b97\u30b7\u30b9\u30c6\u30e0\u30ba\u751f\u7269\u5b66\u7814\u7a76\u5ba4)<\/p>\n<p>TITLE:\u00a0 Embedding Natural Organic Compounds into Latent Space by Autoencoder Using Molecular Hypergraph Grammar<\/p>\n<p>Abstract:<\/p>\n<p>We propose a model for embedding natural organic compounds into a latent space using a molecular hypergraph grammar-based autoencoder.<br \/>\nThe goal is to capture the inherent structural features and chemical properties of organic compounds in a compact and meaningful representation. The encoder maps the input compounds, represented as hypergraphs, into a lower-dimensional latent space.<br \/>\nTo evaluate the effectiveness of our approach, we construct a classifier of the organic compounds into manually annotated hierarchical categories such as Terpenoids-Triterpenoids-Limonoids, etc.<br \/>\nThis embedding enables various downstream applications, such as compound clustering, similarity searching, and property prediction.<\/p>\n<p>&nbsp;<\/p>\n<div class=\"block-list-appender wp-block\" tabindex=\"-1\" contenteditable=\"false\" data-block=\"true\">\n<div class=\"block-editor-default-block-appender\" data-root-client-id=\"\">\n<p class=\"block-editor-default-block-appender__content\" tabindex=\"0\" role=\"button\" aria-label=\"\u30c7\u30d5\u30a9\u30eb\u30c8\u30d6\u30ed\u30c3\u30af\u3092\u8ffd\u52a0\">\u00a0<\/p>\n<\/div>\n<\/div>\n<p>&nbsp;<\/p>\n","protected":false},"excerpt":{"rendered":"<p>5\u6708\u306e\u5b66\u5185\u5171\u540c\u7814\u7a76\u4fc3\u9032\u30c8\u30fc\u30af\u306f\u3001\u8a08\u7b97\u30b7\u30b9\u30c6\u30e0\u30ba\u751f\u7269\u5b66\u7814\u7a76\u5ba4\u306e\u5c0f\u91ce\u76f4\u4eae\u5148\u751f\u306b\u3054\u8b1b\u6f14\u3044\u305f\u3060\u304d\u307e\u3057\u305f\u3002 \u30bf\u30a4\u30c8\u30eb\u3068\u6982\u8981\u306f\u4ee5\u4e0b\u306b\u306a\u308a\u307e\u3059\u3002 ==================== \u5c0f\u91ce\u76f4\u4eae \u51c6\u6559\u6388 (\u8a08\u7b97\u30b7\u30b9\u30c6\u30e0\u30ba\u751f\u7269\u5b66\u7814\u7a76\u5ba4 [&hellip;]<\/p>\n","protected":false},"author":1,"featured_media":0,"comment_status":"closed","ping_status":"closed","sticky":false,"template":"","format":"standard","meta":{"_locale":"ja","_original_post":"http:\/\/www-dsc.naist.jp\/dsc_naist\/?p=4663","_links_to":"","_links_to_target":""},"categories":[3],"tags":[],"event_taxonomy":[15],"acf":[],"_links":{"self":[{"href":"http:\/\/www-dsc.naist.jp\/dsc_naist\/wp-json\/wp\/v2\/posts\/4663"}],"collection":[{"href":"http:\/\/www-dsc.naist.jp\/dsc_naist\/wp-json\/wp\/v2\/posts"}],"about":[{"href":"http:\/\/www-dsc.naist.jp\/dsc_naist\/wp-json\/wp\/v2\/types\/post"}],"author":[{"embeddable":true,"href":"http:\/\/www-dsc.naist.jp\/dsc_naist\/wp-json\/wp\/v2\/users\/1"}],"replies":[{"embeddable":true,"href":"http:\/\/www-dsc.naist.jp\/dsc_naist\/wp-json\/wp\/v2\/comments?post=4663"}],"version-history":[{"count":2,"href":"http:\/\/www-dsc.naist.jp\/dsc_naist\/wp-json\/wp\/v2\/posts\/4663\/revisions"}],"predecessor-version":[{"id":4665,"href":"http:\/\/www-dsc.naist.jp\/dsc_naist\/wp-json\/wp\/v2\/posts\/4663\/revisions\/4665"}],"wp:attachment":[{"href":"http:\/\/www-dsc.naist.jp\/dsc_naist\/wp-json\/wp\/v2\/media?parent=4663"}],"wp:term":[{"taxonomy":"category","embeddable":true,"href":"http:\/\/www-dsc.naist.jp\/dsc_naist\/wp-json\/wp\/v2\/categories?post=4663"},{"taxonomy":"post_tag","embeddable":true,"href":"http:\/\/www-dsc.naist.jp\/dsc_naist\/wp-json\/wp\/v2\/tags?post=4663"},{"taxonomy":"event_taxonomy","embeddable":true,"href":"http:\/\/www-dsc.naist.jp\/dsc_naist\/wp-json\/wp\/v2\/event_taxonomy?post=4663"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}