{"id":256311,"date":"2023-12-10T06:21:18","date_gmt":"2023-12-09T22:21:18","guid":{"rendered":"\/\/m.iemloyee.com\/?p=256311"},"modified":"2023-12-09T22:21:35","modified_gmt":"2023-12-09T14:21:35","slug":"nature-chemistry%ef%bc%9a%e9%80%9a%e8%bf%87%e6%b7%b1%e5%ba%a6%e5%ad%a6%e4%b9%a0%e5%92%8c%e9%ab%98%e9%80%9a%e9%87%8f%e5%ae%9e%e9%aa%8c%e8%bf%9b%e8%a1%8c%e8%8d%af%e7%89%a9%e5%88%86%e5%ad%90%e5%90%8e","status":"publish","type":"post","link":"\/\/m.iemloyee.com\/?p=256311","title":{"rendered":"Nature Chemistry\uff1a\u901a\u8fc7\u6df1\u5ea6\u5b66\u4e60\u548c\u9ad8\u901a\u91cf\u5b9e\u9a8c\u8fdb\u884c\u836f\u7269\u5206\u5b50\u540e\u671f\u884d\u751f\u5316"},"content":{"rendered":"
\u4e00\u3001\u3010\u5bfc\u8bfb\u3011<\/p>\n
\u5728\u836f\u7269\u53d1\u73b0\u4e2d\uff0c\u540e\u671f\u529f\u80fd\u5316\u662f\u4e00\u79cd\u7ecf\u6d4e\u9ad8\u6548\u7684\u65b9\u6cd5\uff0c\u7528\u4e8e\u4f18\u5316\u836f\u7269\u5019\u9009\u5316\u5408\u7269\u7684\u6027\u8d28\u3002\u7136\u800c\uff0c\u836f\u7269\u5206\u5b50\u7684\u5316\u5b66\u590d\u6742\u6027\u5e38\u5e38\u4f7f\u5f97\u540e\u671f\u591a\u6837\u5316\u53d8\u5f97\u5177\u6709\u6311\u6218\u6027\u3002\u6765\u81ea\u82cf\u9ece\u4e16\u8054\u90a6\u7406\u5de5\u5b66\u9662<\/strong>Gisbert Schneider<\/strong>\u3001\u7f57\u6c0f\u521b\u65b0\u4e2d\u5fc3(Roche Innovation Center) Rainer E. Martin<\/strong>\u3001Uwe Grether<\/strong>\u3001\u6155\u5c3c\u9ed1\u5927\u5b66David B. 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late-stage drug diversification by high-throughput experimentation with geometric deep learning<\/em>\u201d\u4e3a\u9898\u53d1\u8868\u5728\u56fd\u9645\u77e5\u540d\u671f\u520aNature Chemistry\u4e0a\u3002<\/p>\n \u4e09\u3001\u3010\u6838\u5fc3\u521b\u65b0\u70b9\u3011<\/p>\n 1\u3001\u901a\u8fc7HTE\u8bbe\u7f6e\u548c\u6db2\u76f8\u8272\u8c31-\u8d28\u8c31\u5206\u6790\u83b7\u5f97\u4e8623\u79cd\u836f\u7269\u5316\u5408\u7269\u7684\u53cd\u5e94\u7ed3\u679c\u6570\u636e\u3002\u5b9e\u9a8c\u6570\u636e\u5206\u6790\u7ba1\u9053\u786e\u5b9a\u4e86\u4e8c\u5143\u53cd\u5e94\u7ed3\u679c\u548c\u53cd\u5e94\u4ea7\u7387\u3002<\/p>\n 2\u3001\u91cf\u5316\u4e86\u7acb\u4f53\u548c\u7535\u5b50\u4fe1\u606f\u5bf9\u6a21\u578b\u6027\u80fd\u7684\u5f71\u54cd\uff0c\u5e76\u5f15\u5165\u4e86\u4e00\u79cd\u7b80\u5355\u6613\u7528\u7684\u53cd\u5e94\u683c\u5f0f\uff0c\u4e3a\u6df1\u5ea6\u5b66\u4e60\u548c\u9ad8\u901a\u91cf\u5b9e\u9a8c\u7684\u65e0\u7f1d\u96c6\u6210\u63d0\u4f9b\u4e86\u5173\u952e\u652f\u6301\u3002<\/p>\n 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Hoffmann-La Roche Ltd \u836f\u7269\u53d1\u73b0\u9879\u76ee\u4e2d\u787c\u5316\u673a\u4f1a\u7684\u4e8c\u5143\u53cd\u5e94\u7ed3\u679c\u3001\u53cd\u5e94\u4ea7\u7387\u548c\u533a\u57df\u9009\u62e9\u6027\u3002\u6807\u51c6\u5316 HTE \u4e0d\u65ad\u751f\u6210\u989d\u5916\u7684\u6570\u636e\u70b9\uff0c\u4ee5\u8fdb\u4e00\u6b65\u589e\u5f3a\u63d0\u51fa\u4e86\u8ba1\u7b97\u6a21\u578b\u3002<\/p>\n \u539f\u6587\u8be6\u60c5<\/strong>\uff1a<\/p>\n Enabling late-stage drug diversification by high-throughput experimentation with geometric deep learning. Nature Chemistry. \u00a0<\/em>DOI: 10.1038\/s41557-023-01360-5.<\/em><\/p>\n \u672c\u6587\u7531\u5c3c\u53e4\u62c9\u65af\u4f9b\u7a3f<\/p>\n","protected":false},"excerpt":{"rendered":" \u4e00\u3001\u3010\u5bfc\u8bfb\u3011 \u5728\u836f\u7269\u53d1\u73b0\u4e2d\uff0c\u540e\u671f\u529f\u80fd\u5316\u662f\u4e00\u79cd\u7ecf\u6d4e\u9ad8\u6548\u7684\u65b9\u6cd5\uff0c\u7528\u4e8e\u4f18\u5316\u836f\u7269\u5019\u9009\u5316\u5408\u7269\u7684\u6027\u8d28\u3002\u7136\u800c\uff0c\u836f\u7269\u5206\u5b50\u7684\u5316\u5b66\u590d\u6742\u6027\u5e38\u5e38\u4f7f\u5f97\u540e\u671f\u591a\u6837\u5316\u53d8\u5f97\u5177\u6709\u6311\u6218\u6027\u3002\u6765\u81ea\u82cf\u9ece\u4e16…<\/p>\n","protected":false},"author":52731,"featured_media":0,"comment_status":"open","ping_status":"closed","sticky":false,"template":"","format":"standard","meta":{"footnotes":""},"categories":[215],"tags":[],"class_list":["post-256311","post","type-post","status-publish","format-standard","hentry","category-jiedu"],"_links":{"self":[{"href":"\/\/m.iemloyee.com\/index.php?rest_route=\/wp\/v2\/posts\/256311"}],"collection":[{"href":"\/\/m.iemloyee.com\/index.php?rest_route=\/wp\/v2\/posts"}],"about":[{"href":"\/\/m.iemloyee.com\/index.php?rest_route=\/wp\/v2\/types\/post"}],"author":[{"embeddable":true,"href":"\/\/m.iemloyee.com\/index.php?rest_route=\/wp\/v2\/users\/52731"}],"replies":[{"embeddable":true,"href":"\/\/m.iemloyee.com\/index.php?rest_route=%2Fwp%2Fv2%2Fcomments&post=256311"}],"version-history":[{"count":2,"href":"\/\/m.iemloyee.com\/index.php?rest_route=\/wp\/v2\/posts\/256311\/revisions"}],"predecessor-version":[{"id":256460,"href":"\/\/m.iemloyee.com\/index.php?rest_route=\/wp\/v2\/posts\/256311\/revisions\/256460"}],"wp:attachment":[{"href":"\/\/m.iemloyee.com\/index.php?rest_route=%2Fwp%2Fv2%2Fmedia&parent=256311"}],"wp:term":[{"taxonomy":"category","embeddable":true,"href":"\/\/m.iemloyee.com\/index.php?rest_route=%2Fwp%2Fv2%2Fcategories&post=256311"},{"taxonomy":"post_tag","embeddable":true,"href":"\/\/m.iemloyee.com\/index.php?rest_route=%2Fwp%2Fv2%2Ftags&post=256311"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}
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