{"id":4666,"date":"2023-05-22T15:00:59","date_gmt":"2023-05-22T06:00:59","guid":{"rendered":"http:\/\/www-dsc.naist.jp\/dsc_naist\/?p=4666"},"modified":"2023-07-04T10:48:56","modified_gmt":"2023-07-04T01:48:56","slug":"dsc-internal-talk-in-may","status":"publish","type":"post","link":"http:\/\/www-dsc.naist.jp\/dsc_naist\/en\/dsc-internal-talk-in-may\/","title":{"rendered":"DSC internal talk in May"},"content":{"rendered":"<p>Assoc. Prof. Naoaki Ono gave a lecture in May.<\/p>\n<p>The details are as follows.<\/p>\n<p>&nbsp;<\/p>\n<p>====================<\/p>\n<p>Assoc. Prof. Naoaki Ono (Computational Systems Biology Laboratory)<\/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>Assoc. Prof. Naoaki Ono gave a lecture in May. The details are as follows. &nbsp; ==================== Assoc. Prof. Naoaki Ono (Computational Systems Biology Laboratory) TITLE:\u00a0 Embedding Natural Organic Compounds into Latent Space by Autoencoder Using Molecular Hypergraph Grammar Abstract: We propose a model for embedding natural organic compounds into a latent space using a molecular [&hellip;]<\/p>\n","protected":false},"author":1,"featured_media":0,"comment_status":"closed","ping_status":"closed","sticky":false,"template":"","format":"standard","meta":{"_locale":"en_US","_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\/4666"}],"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=4666"}],"version-history":[{"count":4,"href":"http:\/\/www-dsc.naist.jp\/dsc_naist\/wp-json\/wp\/v2\/posts\/4666\/revisions"}],"predecessor-version":[{"id":4677,"href":"http:\/\/www-dsc.naist.jp\/dsc_naist\/wp-json\/wp\/v2\/posts\/4666\/revisions\/4677"}],"wp:attachment":[{"href":"http:\/\/www-dsc.naist.jp\/dsc_naist\/wp-json\/wp\/v2\/media?parent=4666"}],"wp:term":[{"taxonomy":"category","embeddable":true,"href":"http:\/\/www-dsc.naist.jp\/dsc_naist\/wp-json\/wp\/v2\/categories?post=4666"},{"taxonomy":"post_tag","embeddable":true,"href":"http:\/\/www-dsc.naist.jp\/dsc_naist\/wp-json\/wp\/v2\/tags?post=4666"},{"taxonomy":"event_taxonomy","embeddable":true,"href":"http:\/\/www-dsc.naist.jp\/dsc_naist\/wp-json\/wp\/v2\/event_taxonomy?post=4666"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}