{"id":659,"date":"2024-05-27T15:00:33","date_gmt":"2024-05-27T06:00:33","guid":{"rendered":"http:\/\/www-dsc.naist.jp\/dsc_consortium\/?p=659"},"modified":"2024-08-13T16:49:02","modified_gmt":"2024-08-13T07:49:02","slug":"dsc%e7%a0%94%e7%a9%b6%e6%8e%a8%e9%80%b2%e3%83%88%e3%83%bc%e3%82%af-202405","status":"publish","type":"post","link":"http:\/\/www-dsc.naist.jp\/dsc_consortium\/dsc%e7%a0%94%e7%a9%b6%e6%8e%a8%e9%80%b2%e3%83%88%e3%83%bc%e3%82%af-202405\/","title":{"rendered":"DSC\u7814\u7a76\u63a8\u9032\u30c8\u30fc\u30af 202405"},"content":{"rendered":"<p>5\u6708\u306e\u5b66\u5185\u5171\u540c\u7814\u7a76\u4fc3\u9032\u30c8\u30fc\u30af\u306f\u3001\u30c7\u30fc\u30bf\u99c6\u52d5\u578b\u5316\u5b66\u7814\u7a76\u5ba4\u306e\u5bae\u5c3e\u77e5\u5e78\u5148\u751f\u306b\u3054\u8b1b\u6f14\u3044\u305f\u3060\u304d\u307e\u3057\u305f\u3002<\/p>\n<p>\u30bf\u30a4\u30c8\u30eb\u3068\u6982\u8981\u306f\u4ee5\u4e0b\u306b\u306a\u308a\u307e\u3059\u3002<\/p>\n<p>====================<\/p>\n<p>\u5bae\u5c3e\u77e5\u5e78 \u51c6\u6559\u6388\uff08\u30c7\u30fc\u30bf\u99c6\u52d5\u578b\u5316\u5b66\u7814\u7a76\u5ba4\uff09<\/p>\n<p>TITLE:<br \/>\nAbout Data-driven Chemical Structure Generation<\/p>\n<p>ABSTRACT\uff1a<br \/>\nOver the decades, computational methods for molecular structure generation have become sophisticated from combining building blocks to running generative models. During my PhD course, I studied chemical structure generation by inversely analyzing a quantitative structure-activity relationship model to propose chemical structures showing desired activity. Although the proposed method worked well, and we successfully published several research papers, one question: \u201cCan we rationally generate novel compounds by a data-driven approach?\u201d has haunted me whenever I come up with a research topic related to structure generation. In this talk, I would like to share my concerns and opinions about structure generation and try to organize my thoughts.<\/p>\n","protected":false},"excerpt":{"rendered":"<p>5\u6708\u306e\u5b66\u5185\u5171\u540c\u7814\u7a76\u4fc3\u9032\u30c8\u30fc\u30af\u306f\u3001\u30c7\u30fc\u30bf\u99c6\u52d5\u578b\u5316\u5b66\u7814\u7a76\u5ba4\u306e\u5bae\u5c3e\u77e5\u5e78\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 ==================== \u5bae\u5c3e\u77e5\u5e78 \u51c6\u6559\u6388\uff08\u30c7\u30fc\u30bf\u99c6\u52d5\u578b\u5316\u5b66\u7814\u7a76\u5ba4\uff09 TIT [&hellip;]<\/p>\n","protected":false},"author":4,"featured_media":0,"comment_status":"closed","ping_status":"open","sticky":false,"template":"","format":"standard","meta":{"_bbp_topic_count":0,"_bbp_reply_count":0,"_bbp_total_topic_count":0,"_bbp_total_reply_count":0,"_bbp_voice_count":0,"_bbp_anonymous_reply_count":0,"_bbp_topic_count_hidden":0,"_bbp_reply_count_hidden":0,"_bbp_forum_subforum_count":0,"footnotes":""},"categories":[6,7],"tags":[],"class_list":["post-659","post","type-post","status-publish","format-standard","hentry","category-seminar","category-active"],"acf":[],"_links":{"self":[{"href":"http:\/\/www-dsc.naist.jp\/dsc_consortium\/wp-json\/wp\/v2\/posts\/659"}],"collection":[{"href":"http:\/\/www-dsc.naist.jp\/dsc_consortium\/wp-json\/wp\/v2\/posts"}],"about":[{"href":"http:\/\/www-dsc.naist.jp\/dsc_consortium\/wp-json\/wp\/v2\/types\/post"}],"author":[{"embeddable":true,"href":"http:\/\/www-dsc.naist.jp\/dsc_consortium\/wp-json\/wp\/v2\/users\/4"}],"replies":[{"embeddable":true,"href":"http:\/\/www-dsc.naist.jp\/dsc_consortium\/wp-json\/wp\/v2\/comments?post=659"}],"version-history":[{"count":2,"href":"http:\/\/www-dsc.naist.jp\/dsc_consortium\/wp-json\/wp\/v2\/posts\/659\/revisions"}],"predecessor-version":[{"id":661,"href":"http:\/\/www-dsc.naist.jp\/dsc_consortium\/wp-json\/wp\/v2\/posts\/659\/revisions\/661"}],"wp:attachment":[{"href":"http:\/\/www-dsc.naist.jp\/dsc_consortium\/wp-json\/wp\/v2\/media?parent=659"}],"wp:term":[{"taxonomy":"category","embeddable":true,"href":"http:\/\/www-dsc.naist.jp\/dsc_consortium\/wp-json\/wp\/v2\/categories?post=659"},{"taxonomy":"post_tag","embeddable":true,"href":"http:\/\/www-dsc.naist.jp\/dsc_consortium\/wp-json\/wp\/v2\/tags?post=659"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}