{"id":39197,"date":"2018-07-11T00:00:43","date_gmt":"2018-07-10T16:00:43","guid":{"rendered":"https:\/\/case.ntu.edu.tw\/blog\/?p=39197"},"modified":"2022-01-05T01:46:32","modified_gmt":"2022-01-04T17:46:32","slug":"%e6%a9%9f%e5%99%a8%e5%ad%b8%e7%bf%92%e9%80%b2%e8%bb%8d%e8%97%a5%e7%89%a9%e9%96%8b%e7%99%bc-2","status":"publish","type":"post","link":"https:\/\/case.ntu.edu.tw\/blog\/?p=39197","title":{"rendered":"\u6a5f\u5668\u5b78\u7fd2\u9032\u8ecd\u85e5\u7269\u958b\u767c"},"content":{"rendered":"<div class=\"single-post-media clr\">\n<div class=\"post-thumbnail\"><img fetchpriority=\"high\" decoding=\"async\" src=\"https:\/\/highscope.ch.ntu.edu.tw\/wordpress\/wp-content\/uploads\/2018\/07\/p78981.png\" alt=\"\u6a5f\u5668\u5b78\u7fd2\u9032\u8ecd\u85e5\u7269\u958b\u767c\" width=\"400\" height=\"267\" \/><\/div>\n<\/div>\n<div class=\"entry clr\">\n<div class=\"pf-content\">\n<p><strong>\u81fa\u5927\u8cc7\u5de5\u6240 \u8a31\u6649\u83ef<\/strong><\/p>\n<p><strong>AI<\/strong><strong>\u5e36\u9818\u85e5\u7269\u958b\u767c\u7522\u696d\u8d70\u5411\u65b0\u4e16\u4ee3<\/strong><\/p>\n<p>\u958b\u767c\u85e5\u7269\u7684\u6210\u672c\u7d04\u6bcf\u4e5d\u5e74\u6703\u589e\u52a0\u4e00\u500d\uff0c\u76ee\u524d\u7d71\u8a08\u70ba25\u5104\u7f8e\u5143\uff0c\u8a31\u591a\u4eba\u5c07\u5176\u6b78\u548e\u65bc\u5316\u5b78\u8cc7\u8a0a\u79d1\u5b78 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Therapeutics\u7684\u79d1\u5b78\u7e3d\u76e3Mark Murcko\u8868\u793a\uff0c\u5c1a\u672a\u8b49\u660eAI\u6bd4\u50b3\u7d71\u6a5f\u5668\u5b78\u7fd2\u65b9\u6cd5\u80fd\u66f4\u6709\u6548\u5730\u627e\u51fa\u65b0\u85e5\u7269\uff0c\u4f46\u8d8a\u4f86\u8d8a\u591a\u5718\u968a\u7d50\u5408\u5316\u5b78\u5bb6\u53ca\u8cc7\u8a0a\u79d1\u5b78\u5bb6\u6295\u5165\u76f8\u95dc\u7814\u7a76\uff0c\u5317\u5361\u5927\u5b78\u6559\u5802\u5c71\u5206\u6821\u7684\u8cc7\u8a0a\u5316\u5b78\u5bb6Olexandr Isayev\u8a8d\u70ba\uff0c\u96d6\u7136\u57fa\u65bcAI\u7684\u5316\u5b78\u61c9\u7528\u50c5\u8d77\u6b652\u5e74\uff0c\u4f46\u9032\u6b65\u76f8\u7576\u53ef\u89c0\uff0c\u5982Atomwise\u7684\u6df1\u5ea6\u5b78\u7fd2\u67b6\u69cbAtomNet\u5df2\u5354\u52a9\u958b\u767c\u9810\u9632\u611f\u67d3\u4f0a\u6ce2\u62c9\u75c5\u6bd2\u7684\u85e5\u7269\uff0c\u4e26\u53d6\u5f97FDA\u7684\u8a8d\u53ef\u8a55\u4f30\uff0c\u5176\u6210\u529f\u4e5f\u8b93\u5316\u5b78\u5bb6\u5011\u770b\u898b\u6df1\u5ea6\u5b78\u7fd2\u7684\u6f5b\u529b\u3002<\/p>\n<p>\u851a\u5c71\u79d1\u5b78\u6280\u8853\u9662\u7684\u5316\u5b78\u6559\u6388Bartosz Grzybowski\u9032\u4e00\u6b65\u89e3\u91cb\u5728\u8a2d\u8a08\u85e5\u7269\u7684\u904e\u7a0b\u4e2d\uff0cAI\u67e5\u770b\u7684\u662f\u5206\u5b50\u7684\u5404\u500b\u65b9\u9762\uff0c\u5b83\u6240\u8b58\u5225\u7684\u662f\u7528\u4f86\u963b\u65b7G\u86cb\u767d\u5076\u806f\u53d7\u9ad4 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Ravitz\u63d0\u5230\u4ed6\u5011\u5e0c\u671b\u672a\u4f86\u7684\u6a5f\u5668\u5b78\u7fd2\u80fd\u5f9e\u4f7f\u7528\u8005\u884c\u70ba\u4e2d\u4ea4\u4e92\u5b78\u7fd2\uff0c\u505a\u5230\u5ba2\u88fd\u5316\u3002<\/p>\n<p>\u6df1\u5ea6\u5b78\u7fd2\u5728\u7522\u51fa\u5316\u5b78\u53cd\u61c9\u5408\u6210\u8def\u5f91\u65b9\u9762\u4e5f\u6709\u8a31\u591a\u76f8\u95dc\u7814\u7a76\uff0c\u5176\u4e2d\u503c\u5f97\u6ce8\u610f\u7684\u662fHaverford\u7814\u7a76\u5718\u968a\u53cd\u5411\u64cd\u4f5c\uff0c\u5229\u7528\u201ddark reactions\u201d\u2500\u7d9c\u5408\u5931\u6557\u6216\u7121\u6cd5\u57f7\u884c\u7684\u53cd\u61c9\u9014\u5f91\u4f86\u5354\u52a9\u8a13\u7df4\u6a21\u578b\uff0c\u4ed6\u5011\u751a\u81f3\u8a2d\u7f6e\u4e86\u4e00\u500b\u7db2\u7ad9 (darkreactions.haverford.edu) \u5c08\u9580\u8490\u96c6\u76f8\u95dc\u8cc7\u8a0a\uff0c\u6709\u5c08\u5bb6\u8072\u7a31\uff0c\u96a8\u8457\u6df1\u5ea6\u5b78\u7fd2\u7684\u767c\u5c55\uff0c\u6b64\u985e\u7684\u8ca0\u9762\u8cc7\u8a0a\u5c07\u6703\u65e5\u8da8\u91cd\u8981\u3002<\/p>\n<p>\u9664\u4e86\u61c9\u7528\u65bc\u5be6\u52d9\u5c64\u9762\u5916\uff0cAI\u4e5f\u884d\u4f38\u5230\u6559\u80b2\u65b9\u9762\uff0cElsevier\u7684CTO\u8868\u793a\u4ed6\u5011\u6b63\u5728\u5617\u8a66\u900f\u904e\u6df1\u5ea6\u5b78\u7fd2\u7b97\u6cd5\u4f86\u5b78\u7fd2\u5b78\u751f\u662f\u5982\u4f55\u5438\u6536\u8ab2\u5802\u77e5\u8b58\uff0c\u85c9\u6b64\u4ed6\u5011\u8a8d\u70ba\u5c07\u80fd\u56e0\u6750\u65bd\u6559\uff0c\u523a\u6fc0\u5b78\u751f\u7684\u5b78\u7fd2\u6b32\u671b\u4e26\u63d0\u5347\u5b78\u696d\u8868\u73fe\u3002\u7121\u8ad6AI\u6703\u61c9\u7528\u5728\u5316\u5b78\u4e2d\u54ea\u4e00\u500b\u7522\u696d\uff0c\u6211\u5011\u90fd\u76f8\u4fe1AI\u5c07\u4f86\u5728\u6b64\u9818\u57df\u5c07\u6703\u7a81\u7834\u73fe\u6cc1\uff0c\u5e36\u4f86\u4eae\u773c\u7684\u6210\u679c\u3002<\/p>\n<p><strong>\u539f\u6587\u51fa\u8655\uff1a<\/strong>\u00a0New directions for machine learning<br \/>\n<a href=\"https:\/\/cen.acs.org\/articles\/95\/i4\/New-directions-machine-learning.html\">https:\/\/cen.acs.org\/articles\/95\/i4\/New-directions-machine-learning.html<\/a><\/p>\n<hr \/>\n<p><strong>\u53c3\u8003\u6587\u737b\uff1a<\/strong><\/p>\n<ul>\n<li>[1] Machine-learning-assisted materials discovery using failed experiments<br \/>\n<a href=\"https:\/\/www.nature.com\/articles\/nature17439\">https:\/\/www.nature.com\/articles\/nature17439<\/a><\/li>\n<li>[2] AtomNet: A Deep Convolutional Neural Network for Bioactivity Prediction in Structure-based Drug Discovery<br \/>\n<a href=\"https:\/\/arxiv.org\/abs\/1510.02855\">https:\/\/arxiv.org\/abs\/1510.02855<\/a><\/li>\n<li>[3] Boosting Docking-Based Virtual Screening with Deep Learning<br \/>\n<a href=\"https:\/\/pubs.acs.org\/doi\/abs\/10.1021\/acs.jcim.6b00355?source=cen\">https:\/\/pubs.acs.org\/doi\/abs\/10.1021\/acs.jcim.6b00355?source=cen<\/a><\/li>\n<li>\u7279\u8272\u5716\u7247\u4f86\u6e90\uff1aPhoto from PxHere<br \/>\n<a href=\"https:\/\/pxhere.com\/en\/photo\/966165\">https:\/\/pxhere.com\/en\/photo\/966165<\/a><\/li>\n<\/ul>\n<\/div>\n<\/div>\n","protected":false},"excerpt":{"rendered":"<p>\u8fd1\u5e74\u4f86\uff0c\u4eba\u5de5\u667a\u6167\u5feb\u901f\u84ec\u52c3\u767c\u5c55\uff0c\u7d50\u5408\u5927\u6578\u64da\u958b\u5275\u65b0\u5c40\uff0c\u61c9\u7528\u5c64\u9762\u904d\u53ca\u7d93\u6fdf\u3001\u5de5\u696d\u548c\u5a1b\u6a02\uff0c\u76f8\u8f03\u4e4b\u4e0b\uff0cAI\u5728\u5316\u5b78\u7522\u696d\u7684\u61c9\u7528\u537b\u986f\u5f97\u7de9\u6162\uff0c\u4f46\u53ef\u671b\u51fa\u73fe\u8f49\u6a5f\uff0c\u56e0\u70ba\u5c08\u5bb6\u5718\u968a\u5df2\u5c55\u958b\u591a\u9805\u5408\u4f5c\u548c\u7814\u7a76\uff0c\u6c7a\u5fc3\u7a81\u7834\u9650\u5236\u4ee5\u7e2e\u77ed\u5dee\u8ddd\uff0c\u6709\u4e9b\u7814\u7a76\u5718\u968a\u8a08\u756b\u5c07\u6df1\u5ea6\u5b78\u7fd2\u61c9\u7528\u5728\u85e5\u7269\u958b\u767c\u4e2d\uff0c\u5176\u4e2d\u7684\u5178\u578b\u4ee3\u8868\u70baGSK\u88fd\u85e5\u516c\u53f8\u548c\u653f\u5e9c\u5be6\u9a57\u5ba4\u7684\u5408\u4f5c\uff0c\u8a72\u516c\u53f8\u8a66\u5716\u5229\u7528\u5927\u91cf\u5316\u5408\u7269\u7684\u7be9\u9078\u6578\u64da\u4f86\u5c0b\u627e\u65b0\u85e5\u7269\uff1b\u9664\u6b64\u4e4b\u5916\uff0c\u4e5f\u6709\u5176\u4ed6\u7814\u7a76\u81f4\u529b\u65bc\u900f\u904eAI\u627e\u51fa\u5316\u5b78\u5408\u6210\u8def\u5f91\u3002<\/p>\n","protected":false},"author":21,"featured_media":39198,"comment_status":"closed","ping_status":"closed","sticky":false,"template":"","format":"standard","meta":{"footnotes":""},"categories":[3772,3293],"tags":[3006,2249,792,6223],"aioseo_notices":[],"jetpack_featured_media_url":"https:\/\/case.ntu.edu.tw\/blog\/wp-content\/uploads\/2022\/01\/p78981.png","_links":{"self":[{"href":"https:\/\/case.ntu.edu.tw\/blog\/index.php?rest_route=\/wp\/v2\/posts\/39197"}],"collection":[{"href":"https:\/\/case.ntu.edu.tw\/blog\/index.php?rest_route=\/wp\/v2\/posts"}],"about":[{"href":"https:\/\/case.ntu.edu.tw\/blog\/index.php?rest_route=\/wp\/v2\/types\/post"}],"author":[{"embeddable":true,"href":"https:\/\/case.ntu.edu.tw\/blog\/index.php?rest_route=\/wp\/v2\/users\/21"}],"replies":[{"embeddable":true,"href":"https:\/\/case.ntu.edu.tw\/blog\/index.php?rest_route=%2Fwp%2Fv2%2Fcomments&post=39197"}],"version-history":[{"count":1,"href":"https:\/\/case.ntu.edu.tw\/blog\/index.php?rest_route=\/wp\/v2\/posts\/39197\/revisions"}],"predecessor-version":[{"id":39199,"href":"https:\/\/case.ntu.edu.tw\/blog\/index.php?rest_route=\/wp\/v2\/posts\/39197\/revisions\/39199"}],"wp:featuredmedia":[{"embeddable":true,"href":"https:\/\/case.ntu.edu.tw\/blog\/index.php?rest_route=\/wp\/v2\/media\/39198"}],"wp:attachment":[{"href":"https:\/\/case.ntu.edu.tw\/blog\/index.php?rest_route=%2Fwp%2Fv2%2Fmedia&parent=39197"}],"wp:term":[{"taxonomy":"category","embeddable":true,"href":"https:\/\/case.ntu.edu.tw\/blog\/index.php?rest_route=%2Fwp%2Fv2%2Fcategories&post=39197"},{"taxonomy":"post_tag","embeddable":true,"href":"https:\/\/case.ntu.edu.tw\/blog\/index.php?rest_route=%2Fwp%2Fv2%2Ftags&post=39197"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}