{"id":15735,"date":"2018-12-20T00:04:19","date_gmt":"2018-12-19T16:04:19","guid":{"rendered":"https:\/newsletter.sinica.edu.tw\/?p=15735"},"modified":"2021-08-11T16:54:22","modified_gmt":"2021-08-11T08:54:22","slug":"%e9%86%a3%e5%88%86%e5%ad%90%e7%9a%84%e9%a3%9f%e8%ad%9c%e8%bb%9f%e9%ab%94%e9%96%8b%e6%94%be%e5%8e%9f%e5%a7%8b%e7%a2%bc%ef%bc%81-%e3%80%8c%e4%b8%80%e9%8d%8b%e5%8c%96%e3%80%8d%e8%88%87%e4%ba%ba%e5%b7%a5","status":"publish","type":"post","link":"https:\/newsletter.sinica.edu.tw\/15735\/","title":{"rendered":"\u91a3\u5206\u5b50\u7684\u98df\u8b5c\u8edf\u9ad4\u958b\u653e\u539f\u59cb\u78bc\uff01 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Communications\uff09<\/strong><\/em>\uff01<\/p>\n<p><img loading=\"lazy\" decoding=\"async\" class=\"aligncenter wp-image-15857\" src=\"https:\/newsletter.sinica.edu.tw\/wp-content\/uploads\/2018\/12\/1-4-01.jpg\" alt=\"\" width=\"1001\" height=\"668\" srcset=\"https:\/newsletter.sinica.edu.tw\/wp-content\/uploads\/2018\/12\/1-4-01.jpg 3680w, https:\/newsletter.sinica.edu.tw\/wp-content\/uploads\/2018\/12\/1-4-01-300x200.jpg 300w, https:\/newsletter.sinica.edu.tw\/wp-content\/uploads\/2018\/12\/1-4-01-768x513.jpg 768w, https:\/newsletter.sinica.edu.tw\/wp-content\/uploads\/2018\/12\/1-4-01-1024x683.jpg 1024w, https:\/newsletter.sinica.edu.tw\/wp-content\/uploads\/2018\/12\/1-4-01-1080x721.jpg 1080w, https:\/newsletter.sinica.edu.tw\/wp-content\/uploads\/2018\/12\/1-4-01-162x108.jpg 162w\" sizes=\"(max-width: 1001px) 100vw, 1001px\" \/><\/p>\n<p>1982\u5e74\u7684\u300c\u4e00\u934b\u5f0f\u9175\u7d20\u5408\u6210\u6cd5\u300d\u4f7f\u7528\u751f\u7269\u65b9\u5f0f\uff0c\u4ee5\u9175\u7d20\u5c07\u55ae\u91a3\u5408\u6210\u70ba\u5be1\u91a3\uff1b1999\u5e74\u7684\u300c\u7a0b\u5f0f\u5316\u4e00\u934b\u5408\u6210\u6cd5\u300d\u5247\u63a1\u7528\u5316\u5b78\u65b9\u5f0f\uff0c\u5c07\u55ae\u91a3\u6240\u7d44\u6210\u7684\u7d44\u5408\u55ae\u5143\uff08Building blocks, BBL\uff09\uff0c\u4f9d\u64da\u5176\u76f8\u5c0d\u53cd\u61c9\u503c\uff08relative reactivity values\uff0cRRV\uff09\uff0c\u5efa\u5165\u96fb\u8166\u7a0b\u5f0f\u8cc7\u6599\u5eabOptimer\uff0c\u79d1\u5b78\u5bb6\u53ea\u8981\u5c07\u60f3\u5408\u6210\u7684\u5be1\u91a3\u7d50\u69cb\u8f38\u5165\uff0c\u8a72\u7a0b\u5f0f\u5373\u53ef\u81ea\u52d5\u627e\u51fa\u9069\u5408\u7684\u7d44\u5408\u55ae\u5143\u3002<\/p>\n<p>\u7136\u800c\uff0c\u65e2\u6709\u7684\u7a0b\u5f0f\u5316\u4e00\u934b\u5408\u6210\u6cd5\u4e5f\u6709\u8cc7\u6599\u5eab\u5c0f\u3001RRV\u6392\u5e8f\u8981\u6c42\u7b49\u9650\u5236\u3002\u5433\u5b97\u76ca\u7814\u7a76\u54e1\u8868\u793a\uff0c\u672c\u6b21\u7814\u7a76\u6210\u679cAuto-CHO\u8edf\u9ad4\uff0c\u5c07\u8cc7\u6599\u5eab\u5f9e\u539f\u6709\u768450\u500b\u7d44\u5408\u55ae\u5143\uff0c\u589e\u52a0\u81f3154\u500bRRV\u7d93\u5be6\u8b49\u7684\u7d44\u5408\u55ae\u5143\uff0c\u53ca5\u842c\u500b\u5177\u9810\u6e2cRRV\u7684\u300c\u865b\u64ec\u300d\u7d44\u5408\u55ae\u5143\uff0c\u4e26\u5c07\u91a3\u5206\u5b50\u7684\u5408\u6210\u4ee5\u968e\u5c64\u5316\u8655\u7406\uff0c\u9664\u4e86\u80fd\u8b93\u4e0d\u540c\u7684\u4e00\u934b\u5316\u7522\u7269\u4e92\u76f8\u4f7f\u7528\uff0c\u66f4\u8b93\u91a3\u5206\u5b50\u5408\u6210\u7684\u968e\u6bb5\u4ee5\u6d41\u7a0b\u5716\u5448\u73fe\u3002<\/p>\n<p>\u8a31\u805e\u5ec9\u7279\u8058\u7814\u7a76\u54e1\u8868\u793a\uff0c\u7531\u65bc\u91a3\u5206\u5b50\u7684\u7a2e\u985e\u7e41\u591a \uff0c\u4ee5\u5be6\u9a57\u4e00\u4e00\u6e2c\u91cf\u5176\u7d44\u5408\u55ae\u5143\u7684RRV\u6703\u8017\u8cbb\u5927\u91cf\u6642\u9593\u7cbe\u529b\uff0c\u56e0\u6b64\uff0c\u7814\u7a76\u5718\u968a\u4f7f\u7528\u4eba\u5de5\u667a\u6167\u5b78\u7fd2\u65b9\u6cd5\uff0c\u5c07\u7d93\u5be6\u9a57\u8b49\u5be6\u7684\u91a3\u7d44\u5408\u55ae\u5143\u8cc7\u6599\uff0c\u900f\u904e\u7279\u5fb5\u5de5\u7a0b\uff08feature engineering\uff09\u5efa\u7acb\u6700\u4f73\u5316\u7684\u300cRRV\u9810\u6e2c\u6a21\u578b\u300d\u3002\u6b64\u6a21\u578b\u7121\u8ad6\u5728\u4ea4\u53c9\u9a57\u8b49\uff08cross-validation\uff09\u6216\u7368\u7acb\u9a57\u8b49\uff08independent test\uff09\u4e0a\u7686\u6709\u5091\u51fa\u8868\u73fe\uff0c\u800c\u8a31\u591a\u865b\u64ec\u7d44\u5408\u55ae\u5143\u4e5f\u9032\u4e00\u6b65\u901a\u904e\u5be6\u9a57\u8b49\u5be6\u3002<\/p>\n<p>\u6b64\u5916\uff0c\u7814\u7a76\u5718\u968a\u8a2d\u8a08\u4e86\u4e00\u5957\u6f14\u7b97\u6cd5\uff0c\u5c07\u91a3\u5206\u5b50\u7684\u5408\u6210\u904e\u7a0b\u62c6\u89e3\u6210\u4e0d\u540c\u968e\u5c64\uff0c\u8b93\u4e00\u500b\u4ee5\u4e00\u934b\u5316\u65b9\u6cd5\u5408\u6210\u7684\u91a3\u7247\u6bb5\uff0c\u53ef\u4f5c\u70ba\u65b0\u7684\u91a3\u5143\u4ef6\u7528\u65bc\u53e6\u4e00\u500b\u4e00\u934b\u5316\u65b9\u6cd5\u3002\u5718\u968a\u4e26\u4ee5\u6b64\u958b\u767c\u70ba\u8996\u89ba\u5316\u64cd\u4f5c\u8edf\u9ad4Auto-CHO\uff0c\u5c07\u4e00\u934b\u5316\u65b9\u6cd5\u6574\u7406\u6210\u6b65\u9a5f\u67b6\u69cb\uff0c\u5982\u540c\u4e00\u7bc7\u53ef\u4f9d\u5e8f\u8abf\u914d\u7684\u300c\u98df\u8b5c\u300d\u3002\u4f9d\u64daAuto-CHO\u63d0\u4f9b\u7684\u300c\u98df\u8b5c\u300d\uff0c\u7814\u7a76\u5718\u968a\u5df2\u6210\u529f\u5408\u6210\u51fa\u56db\u7a2e\u751f\u7269\u5b78\u4e0a\u91cd\u8981\u7684\u5be1\u91a3\u5206\u5b50\u3002<\/p>\n<p>\u7814\u7a76\u5718\u968a\u4ea6\u6c7a\u5b9a\u516c\u958bAuto-CHO\u7684\u539f\u59cb\u78bc\uff0c\u63d0\u4f9b\u79d1\u5b78\u754c\u514d\u8cbb\u4f7f\u7528\uff0c\u4e26\u8b93\u4f7f\u7528\u8a72\u7a0b\u5f0f\u7684\u5316\u5b78\u5bb6\u5011\uff0c\u53ef\u5c07\u865b\u64ec\u91a3\u5143\u4ef6\u7684\u4f7f\u7528\u5fc3\u5f97\u56de\u994b\uff0c\u8b93\u5ee3\u5927\u7684\u7814\u7a76\u793e\u7fa4\u53ef\u4ee5\u5171\u8944\u76db\u8209\uff0c\u6301\u7e8c\u4fee\u6b63\u548c\u589e\u6dfb\u8cc7\u6599\u5eab\u7684\u5167\u5bb9\u3002<\/p>\n<p>\u672c\u7bc7\u8ad6\u6587\u6a19\u984c\u70ba\u300c<em><strong>Hierarchical and Programmable One-Pot Synthesis of Oligosacchaides<\/strong><\/em>\u300d\uff0c\u7b2c\u4e00\u4f5c\u8005\u70ba\u672c\u9662TIGP\u751f\u7269\u8cc7\u8a0a\u5b78\u7a0b\u535a\u58eb\u751f\u912d\u6210\u5049\uff0c\u8ad6\u6587\u5168\u6587\u53ef\u65bc\u4e0b\u5217\u7db2\u5740\u5b58\u53d6\u95b1\u8b80\uff1a<strong><a href=\"https:\/doi.org\/10.1038\/s41467-018-07618-8\">https:\/doi.org\/10.1038\/s41467-018-07618-8<\/a><\/strong><\/p>\n<p>&nbsp;<\/p>\n<div id=\"attachment_15737\" style=\"width: 1034px\" class=\"wp-caption aligncenter\"><img loading=\"lazy\" decoding=\"async\" aria-describedby=\"caption-attachment-15737\" class=\"wp-image-15737 size-large\" src=\"https:\/newsletter.sinica.edu.tw\/wp-content\/uploads\/2018\/12\/1-4-1024x812.png\" alt=\"\" width=\"1024\" height=\"812\" srcset=\"https:\/newsletter.sinica.edu.tw\/wp-content\/uploads\/2018\/12\/1-4-1024x812.png 1024w, https:\/newsletter.sinica.edu.tw\/wp-content\/uploads\/2018\/12\/1-4-300x238.png 300w, https:\/newsletter.sinica.edu.tw\/wp-content\/uploads\/2018\/12\/1-4-768x609.png 768w, https:\/newsletter.sinica.edu.tw\/wp-content\/uploads\/2018\/12\/1-4-1080x857.png 1080w, https:\/newsletter.sinica.edu.tw\/wp-content\/uploads\/2018\/12\/1-4.png 1489w\" sizes=\"(max-width: 1024px) 100vw, 1024px\" \/><p id=\"caption-attachment-15737\" class=\"wp-caption-text\">\u5716\u8aaa\uff1a a\uff09\u6982\u5ff5\u63cf\u8ff0\uff0c\u91a3\u5206\u5b50\u5408\u6210\u6a19\u7684\u8f38\u5165Auto-CHO\u8edf\u9ad4\u5f8c\uff0c\u900f\u904e\u91a3\u7d44\u5408\u55ae\u5143\u8cc7\u6599\u5eab\u641c\u5c0b\uff0c\u8edf\u9ad4\u56de\u50b3\u53ef\u884c\u7684\u4e00\u934b\u5316\u5408\u6210\u65b9\u6848\u3002\u91a3\u5143\u4ef6\u7684RRV\u53ef\u4ee5\u662f\u5be6\u9a57\u9a57\u8b49\u7684\u6216\u662f\u9810\u6e2c\u7684\u3002 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