\u836f\u7269\u7814\u53d1\u7684\u79d1\u5b66\u65b9\u6cd5\u901a\u5e38\u5206\u4e3a\u5047\u8bbe\u3001\u5b9e\u9a8c\u548c\u5206\u6790\u8fd9\u4e09\u65b9\u9762\u7684\u5faa\u73af\u3002\u5728\u5b9e\u9a8c\u548c\u5206\u6790\u73af\u8282\uff0c\u5e38\u5e38\u6d89\u53ca\u8bb8\u591a\u7e41\u6742\u7684\u5de5\u5e8f\u548c\u53c2\u6570\uff0c\u4ee4\u4eba\u65e0\u6bd4\u6293\u72c2\u3002\u76ee\u524d\uff0c\u5f88\u591a\u5236\u836f\u4f01\u4e1a\u5df2\u7ecf\u5f00\u59cb\u7740\u624b\u5c06\u5b9e\u9a8c\u8fc7\u7a0b\u81ea\u52a8\u5316\uff0c\u5e76\u91c7\u7528\u81ea\u52a8\u5316\u5206\u6790\u65b9\u6cd5\u6765\u6d4b\u8bd5\u5b9e\u9a8c\u7ed3\u679c\u3002<\/p>\n\n\n\n

\n
\u5173\u4e8e\u9ed8\u514b<\/span><\/strong><\/h3>\n\n\n\n
\u9ed8\u514b\u96c6\u56e2 (Merck KGaA) \u521b\u5efa\u4e8e 1668 \u5e74\uff0c\u62e5\u6709\u7ea6 350 \u5e74\u5386\u53f2\uff0c\u603b\u90e8\u4f4d\u4e8e\u5fb7\u56fd\u8fbe\u59c6\u65bd\u5854\u7279\u5e02 (Darmstadt)\uff0c\u8be5\u96c6\u56e2\u4e3b\u8981\u81f4\u529b\u4e8e\u521b\u65b0\u578b\u5236\u836f\u3001\u751f\u547d\u79d1\u5b66\u4ee5\u53ca\u524d\u6cbf\u529f\u80fd\u6750\u6599\u6280\u672f\uff0c\u5e76\u4ee5\u6280\u672f\u4e3a\u9a71\u52a8\u529b\uff0c\u4e3a\u60a3\u8005\u548c\u5ba2\u6237\u521b\u9020\u4ef7\u503c\u3002<\/p>\n<\/div><\/div>\n\n\n\n
$\"\u836f\u7269\u7814\u53d1\u7684\u79d1\u5b66\u65b9\u6cd5$
_{Merck \u6d77\u91cf\u6570\u636e\u5b9e\u9a8c\u5ba4\u548c UBC Hein Lab \u96c6\u6210\u4e86 Chemspeed \u81ea\u52a8\u5316\u5e73\u53f0\u7684\u95ed\u73af\u7cfb\u7edf<\/sub><\/figcaption><\/figure><\/div>\n\n\n\n\u591a\u5e74\u6765\uff0c\u9ed8\u514b\u4e5f\u5728\u5b9e\u9a8c\u5ba4\u81ea\u52a8\u5316\u9886\u57df\u4e0d\u65ad\u63a2\u7d22\u3002\u5728 Merck \u4e0e University of British Columbia \u7684\u5408\u4f5c\u9879\u76ee\u4e2d\uff0c\u901a\u8fc7 Chemspeed \u81ea\u52a8\u5316\u5de5\u4f5c\u7ad9\uff0cMerck \u6784\u5efa\u4e86\u4e00\u5957\u53ef\u8fdb\u884c\u81ea\u4e3b\u53cd\u5e94\u4f18\u5316\u7684\u95ed\u73af\u7cfb\u7edf\uff0c\u4f53\u9a8c\u4e86\u4e00\u628a\u81ea\u52a8\u5316\u5b9e\u9a8c\u9886\u57df\u7684\u9ad8\u7ea7\u51e1\u5c14\u8d5b\u3002<\/strong><\/p>\n\n\n\n}
$\"\"$ <\/figure>
\n
\u201c\u6211\u4eec\u6bcf\u5929\u90fd\u5728\u7528\u8fd9\u5957\u7cfb\u7edf\u8fdb\u884c\u5927\u91cf\u7684\u9ad8\u901a\u91cf\u5b9e\u9a8c\u548c\u53cd\u5e94\u4f18\u5316\u5de5\u4f5c\u201d<\/strong><\/p>\n\n\n\n
_{— Merck \u526f\u9996\u5e2d\u79d1\u5b66\u5bb6<\/em>, UBC \u7684\u535a\u58eb\u751f<\/em><\/sub><\/p>\n<\/div><\/div>\n\n\n\n}
<\/p>\n\n\n\n
\u7814\u53d1\u524d\u671f\u9762\u4e34\u7684\u6311\u6218<\/span><\/strong><\/h2>\n\n\n\n
\u901a\u8fc7\u548c AI \u8fd0\u7b97\u6cd5\u8fdb\u884c\u96c6\u6210\uff0cMerck \u5728 Chemspeed \u5e73\u53f0\u914d\u7f6e\u4e86\u5728\u7ebf HPLC \u8fdb\u6837\u9600\uff0c\u4ee5\u6b64\u6765\u8fdb\u884c\u53cd\u5e94\u4ea7\u7269\u7684\u5728\u7ebf\u5206\u6790\uff0c\u5e76\u5f00\u53d1\u4e86\u4e00\u4e2a\u8f7b\u91cf\u7684 Python \u5de5\u5177\uff0c\u5c06\u53cd\u5e94\u4f18\u5316\u7b97\u6cd5\u548c\u53cd\u5e94\u5e73\u53f0\u53ca\u5206\u6790\u8bbe\u5907\u8fde\u63a5\u8d77\u6765\uff0c\u5efa\u7acb\u4e86\u4e00\u5957\u95ed\u73af\u7cfb\u7edf\u3002<\/p>\n\n\n\n
Melodie \u548c\u5979\u7684\u56e2\u961f\u9009\u62e9\u4e86 Pd \u50ac\u5316 Suzuki \u5076\u8054\u53cd\u5e94\u6765\u9a8c\u8bc1\u8be5\u5957\u7cfb\u7edf\uff0c\u8fd9\u7c7b\u53cd\u5e94\u662f\u836f\u7269\u7814\u53d1\u4e2d\u7684\u4e00\u4e2a\u57fa\u7840\u53cd\u5e94\uff0c\u4f46\u5374\u53ca\u5176\u91cd\u8981\u3002\u5728\u53cd\u5e94\u9009\u62e9\u6027\u4e0a\uff0cSuzuki \u5076\u8054\u53cd\u5e94\u4e00\u76f4\u9762\u4e34\u7740\u5f88\u5927\u7684\u6311\u6218\uff0c\u56e0\u4e3a\u53cd\u5e94\u8fc7\u7a0b\u9664\u4e86\u53d7\u50ac\u5316\u5242\u914d\u4f53\u5f71\u54cd\u4e4b\u5916\uff0c\u8fd8\u53d7\u5176\u4ed6\u8fde\u7eed\u53c2\u6570\u7684\u5f71\u54cd\uff0c\u6240\u4ee5\uff0c\u5bf9\u4e8e Chemspeed \u7cfb\u7edf\uff0c\u8fd9\u662f\u4e00\u4e2a\u5305\u542b\u4f7f\u7528 \u201c\u5206\u7c7b\u8fde\u7eed\u53c2\u6570\u201d \u7684\u5b8c\u7f8e\u591a\u53d8\u91cf\u4f18\u5316\u6311\u6218\u3002<\/p>\n\n\n\n
\u5b9e\u9a8c\u5185\u5bb9\u4ece\u4e00\u4e2a Pd \u524d\u9a71\u4f53\u548c\u78f7\u914d\u4f53\u5f00\u59cb\uff0c\u53cd\u5e94 2 \u5c0f\u65f6\uff0c\u7b5b\u9009 5 \u4e2a\u53d8\u91cf\u3002Melodie \u548c\u5979\u7684\u56e2\u961f\u4e0d\u4ec5\u914d\u7f6e\u7b97\u6cd5\u4f18\u5316\u6765\u6700\u5927\u5316 E \u6784\u578b\u4ea7\u7269\u7684\u4ea7\u7387\uff0c\u540c\u65f6\u4e5f\u6700\u5c0f\u5316 Z \u6784\u578b\u4ea7\u7269\u7684\u4ea7\u7387\u53ca\u50ac\u5316\u5242\u8d1f\u8f7d\u91cf\u3001\u5076\u8054\u5242\u7528\u91cf\uff0c\u7b5b\u9009\u65b9\u6848\u6d89\u53ca\u5171\u8ba1 120 \u4e2a\u5b9e\u9a8c\u3002<\/strong><\/p>\n\n\n\n
Chemspeed \u81ea\u52a8\u5316<\/strong> – \u79d1\u6280\u611f\u5341\u8db3\uff0c\u9707\u60ca\u5b9e\u9a8c\u4eba\u5458 <\/strong><\/span><\/h2>\n\n\n\n
\n
\n
$\"Chemspeed$
_{\u5de6\u4fa7\u4e3a Chemspeed \u673a\u68b0\u81c2\u5728\u79fb\u52a8\uff0c\u53f3\u4fa7\u4e3a\u6bcf\u4e2a\u5b9e\u9a8c\u4e0d\u540c\u7684\u53c2\u6570\u7684\u53d8\u5316\u4ee5\u53ca\u76f8\u5e94\u7684\u76ee\u6807\u4ea7\u7269\u7684\u4ea7\u7387<\/sub><\/figcaption><\/figure><\/div>\n<\/div>\n<\/div>\n\n\n\nChemspeed \u5e73\u53f0\u53ef\u4e0d\u95f4\u65ad\u5730\u8fd0\u884c\u5b9e\u9a8c\u4efb\u52a1\uff0c\u65e0\u9700\u4eba\u5de5\u5e72\u9884\u3002\u53e6\u4e00\u4e2a\u6709\u8da3\u7684\u7279\u70b9\u662f\uff0cChemspeed \u8fd8\u53ef\u8fde\u63a5\u81ea\u7136\u8bed\u8a00\u5904\u7406\u529f\u80fd\uff0c\u5e2e\u52a9\u5b9e\u9a8c\u56e2\u961f\u8f7b\u677e\u5730\u63a7\u5236\u6d41\u7a0b\uff0c\u5bf9\u4e8e\u5b9e\u9a8c\u4eba\u5458\u6765\u8bf4\uff0c\u62e5\u6709\u8fd9\u6837\u7684\u9ad8\u79d1\u6280\uff0c\u662f\u4ee4\u4eba\u60ca\u559c\u7684\u798f\u5229\u3002<\/p>\n\n\n\n
\u901a\u8fc7 Chemspeed \u5e73\u53f0\uff0cMelodie <\/strong>\u56e2\u961f\u6210\u529f\u786e\u5b9a\u4e86\u83b7\u5f97 65% <\/strong>\u4ea7\u7387\u76ee\u6807\u4ea7\u7269\u7684\u6761\u4ef6<\/strong>\uff0c\u4f46\u5b9e\u9a8c\u8fc7\u7a0b\u4e2d\u56e0\u4e3a\u4f7f\u7528\u4e86 DPPF (1,1′ -\u53cc (\u4e8c\u82ef\u57fa\u81a6) \u4e8c\u8302\u94c1) \u8fd9\u79cd\u9ad8\u9009\u62e9\u6027\u7684\u914d\u4f53\uff0c\u4f7f\u5f97\u5b9e\u9a8c\u6210\u529f\u5fc5\u7136\u6027\u589e\u9ad8\uff0c\u6240\u4ee5\u56e2\u961f\u53c8\u63d0\u51fa\u4e86\u66f4\u4e25\u82db\u7684\u5b9e\u9a8c\u65b9\u6848\uff0c\u6765\u5168\u9762\u5370\u8bc1\u6574\u5957\u7cfb\u7edf\u7684\u4f7f\u7528\u6027\u80fd\u3002<\/p>\n\n\n\n
\u5728 Suzuki \u5076\u8054\u53cd\u5e94\u4f18\u5316\u95ed\u73af\u7cfb\u7edf\u7684\u8fc7\u7a0b\u4e2d\uff0cMelodie \u56e2\u961f\u4e86\u89e3\u5230\u7cfb\u7edf\u7684\u5206\u7c7b\u53c2\u6570\u9009\u62e9\u662f\u8fd9\u9879\u4f18\u5316\u6210\u529f\u7684\u5173\u952e\uff0c\u4ed6\u4eec\u4e5f\u5f88\u6709\u5174\u8da3\u5c06 Chemspeed \u5e73\u53f0\u5e94\u7528\u4e8e\u5176\u4ed6\u591a\u53d8\u91cf\u4f18\u5316\u6311\u6218\u4e2d\u3002<\/p>\n\n\n\n
_{\u4f18\u5316\u540e\u7684 Suzuki \u5076\u8054\u53cd\u5e94\u4f18\u5316\u95ed\u73af\u7cfb\u7edf<\/sub><\/figcaption><\/figure><\/div>\n\n\n\n<\/p>\n\n\n\n
\u72b9\u4ed6\u5927\u5b66 Sigma \u8bfe\u9898\u7ec4\u5e94\u7528<\/strong> – Chemspeed \u5de5\u4f5c\u7ad9\u6548\u679c\u663e\u8457<\/strong><\/span><\/h2>\n\n\n\n\u5728 Melodie \u56e2\u961f\u7684\u7814\u7a76\u57fa\u7840\u4e0a\uff0c\u72b9\u4ed6\u5927\u5b66 (University of Utah) \u7684 Sigma \u8bfe\u9898\u7ec4\u5229\u7528\u4ef7\u952e\u7406\u8bba\u548c\u914d\u4f4d\u573a\u7406\u8bba\u5bf9\u914d\u4f53\u7684\u7535\u5b50\u7ed3\u6784\u8fdb\u884c\u63a2\u7d22\uff0c\u5e76\u5229\u7528\u4e3b\u6210\u5206\u5206\u6790\u6cd5\u5c06 365 \u4e2a\u5546\u54c1\u5316\u78f7\u914d\u4f53\u7684\u51e0\u767e\u4e2a\u914d\u4f53\u7684\u7535\u5b50\u53c2\u6570\u8fdb\u884c\u964d\u7ef4\u7b80\u5316\u5230\u51e0\u4e2a\u5173\u952e\u7684\u4e3b\u8981\u6210\u5206\u3002<\/p>\n\n\n\n
_{\u6ce8: \u4e3b\u6210\u5206\u5206\u6790 (principal components analysis\uff0cPCA) \u53c8\u79f0\u4e3b\u5206\u91cf\u5206\u6790\uff0c\u4e3b\u6210\u5206\u56de\u5f52\u5206\u6790\uff0c\u65e8\u5728\u5229\u7528\u964d\u7ef4\u7684\u601d\u60f3\uff0c\u628a\u591a\u6307\u6807\u8f6c\u5316\u4e3a\u5c11\u6570\u51e0\u4e2a\u7efc\u5408\u6307\u6807\u3002<\/sub><\/p>\n\n\n\n}
<\/figure><\/div>\n\n\n\nSigma \u8bfe\u9898\u7ec4\u7684 Toby \u5bf9\u9996\u6279\u56db\u4e2a\u4e3b\u6210\u5206\u8fdb\u884c\u4e86 k \u5747\u503c\u805a\u7c7b\uff0c\u751f\u6210\u4e86 24 \u4e2a\u805a\u7c7b\uff0c\u8fd9\u91cc\u7528\u989c\u8272\u8868\u793a (\u5982\u4e0b\u56fe)\u3002\u8bfe\u9898\u7ec4\u4ece\u6bcf\u4e2a\u805a\u7c7b\u4e2d\u9009\u53d6\u4e00\u4e2a\u914d\u4f53\uff0c\u8fdb\u4e00\u6b65\u6539\u5584\u5b9e\u9a8c\u8bbe\u8ba1\uff0c\u964d\u4f4e ArBA \u4f5c\u4e3a\u5f71\u54cd\u56e0\u7d20\u548c\u54cd\u5e94\u7684\u503c\uff0c\u63d0\u9ad8\u4e86\u8fed\u4ee3\u6b21\u6570\uff0c\u4ece 120 \u5230 192\u3002\u4fee\u6539\u914d\u4f53\u7ec4\u5408\u540e\uff0c\u4ece\u89c6\u56fe\u4e0a\u53ef\u4ee5\u770b\u5230\uff0c\u6709\u4e00\u4e2a\u914d\u4f53\u6548\u679c\u975e\u5e38\u597d\u3002\u7b2c 161 \u6b21\u8fed\u4ee3\u5b9e\u9a8c\u7ed3\u679c\u76ee\u6807\u4ea7\u7269\u8fbe\u5230\u4e86 73% \u7684\u4ea7\u7387\uff0c\u9009\u62e9\u6027\u4ece 1.5:1 \u63d0\u9ad8\u5230 2.5:1\u3002<\/strong><\/p>\n\n\n\n
<\/figure><\/div>\n\n\n\n\u672c\u7bc7\u6587\u7ae0\u6839\u636e\u4ee5\u4e0b\u7f51\u7ad9\u5185\u5bb9\u6574\u7406\uff1ahttps:\/\/www.chemspeed.com\/video\/data-science-driven-autonomous-reaction-optimization-by-ubc-merck-co-inc-and-chemspeed\/<\/a><\/p>\n\n\n\n
\n\n<\/figure><\/div>\n\n\n\n<\/p>\n<\/div>\n<\/div>\n\n\n\n
\u4e86\u89e3\u66f4\u591a CHEMSPEED\uff0c\u53ef\u6dfb\u52a0\u529b\u626c\u5c0f\u52a9\u624b\u5fae\u4fe1 (nikyang01)\u3002<\/p>\n\n\n\n
\n\n\n\n\u66f4\u591a\u6587\u7ae0<\/h2>\n\n\n\n\n\n\n\n2023 \u7b2c 3 \u5b63 \u2013 \u5b63\u5ea6\u901a\u8baf | \u91d1\u79cb\u4e30\u76c8 \u672a\u6765\u53ef\u671f\uff0c\u5171\u521b\u79d1\u7814\u65b0\u52bf\u529b<\/a>2023-10-13<\/time><\/li>\n
BCEIA 2023 \u5b8c\u7f8e\u6536\u5b98 | \u529b\u626c\u4f01\u4e1a\u52a9\u60a8\u8fc8\u5411\u667a\u6167\u79d1\u7814\u65b0\u65f6\u4ee3\uff01<\/a>2023-09-15<\/time><\/li>\n
\u529b\u626c\u4f01\u4e1a\u5e26\u6765 BCEIA \u8d85\u524d \u201c\u4e91\u201d \u5267\u900f\uff01<\/a>2023-08-31<\/time><\/li>\n
AI VS \u4eba\u5de5\uff0c\u662f\u4e00\u573a\u5173\u4e8e \u201c\u8fdb\u5316\u901f\u5ea6\u201d \u7684\u6bd4\u62fc<\/a>2023-08-24<\/time><\/li>\n<\/ul><\/div>\n<\/div>\n<\/div><\/div>\n<\/div>\n<\/div>\n","protected":false},"excerpt":{"rendered":"\u836f\u7269\u7814\u53d1\u7684\u79d1\u5b66\u65b9\u6cd5\u901a\u5e38\u5206\u4e3a\u5047\u8bbe\u3001\u5b9e\u9a8c\u548c\u5206\u6790\u8fd9\u4e09\u65b9\u9762\u7684\u5faa\u73af\u3002\u5728\u5b9e\u9a8c\u548c\u5206\u6790\u73af\u8282\uff0c\u5e38\u5e38\u6d89\u53ca\u8bb8\u591a\u7e41\u6742\u7684\u5de5\u5e8f\u548c\u53c2\u6570\uff0c\u4ee4\u4eba\u65e0\u6bd4\u6293\u72c2\u3002\u76ee\u524d\uff0c\u5f88\u591a\u5236\u836f\u4f01\u4e1a\u5df2\u7ecf\u5f00\u59cb\u7740\u624b\u5c06\u5b9e\u9a8c\u8fc7\u7a0b\u81ea\u52a8\u5316\uff0c\u5e76\u91c7\u7528\u81ea\u52a8\u5316\u5206\u6790\u65b9\u6cd5\u6765\u6d4b\u8bd5\u5b9e\u9a8c\u7ed3\u679c\u3002 \u4eca\u5929\uff0c\u6211\u4eec\u5c31\u4ee5 Chemspeed 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