{"id":17419,"date":"2023-04-03T12:10:00","date_gmt":"2023-04-03T04:10:00","guid":{"rendered":"https:\/\/www.nikyang.com\/?p=17419"},"modified":"2023-05-16T10:59:27","modified_gmt":"2023-05-16T02:59:27","slug":"ai-hts-smartlab-revolution","status":"publish","type":"post","link":"https:\/\/www.nikyang.com\/news\/ai-hts-smartlab-revolution\/","title":{"rendered":"\u5df2\u7136\u542f\u52a8\u7684\u79d1\u7814\u53d8\u9769 – \u4eba\u5de5\u667a\u80fd + \u9ad8\u901a\u91cf\u5b9e\u9a8c"},"content":{"rendered":"\n

\u65e9\u6bb5\u65f6\u95f4 ChatGPT \u6380\u8d77\u4e0d\u5c11\u58f0\u6d6a\uff0c\u8be5\u7cfb\u7edf\u900f\u8fc7 AI \u6f14\u7b97\u5b66\u4e60\u8fdb\u884c\u5206\u6790\uff0c\u4e3a\u7528\u6237\u5feb\u901f\u5bfb\u627e\u7b54\u6848\u3002\u8fd1\u65e5\u4e3a\u4e86\u56de\u5e94\u5e02\u573a\u7684\u9700\u6c42\uff0c\u767e\u5ea6\u4e5f\u53d1\u5e03\u4e86\u751f\u6210\u5f0f AI \u4ea7\u54c1 \u2014\u2014 \u6587\u5fc3\u4e00\u8a00\u3002<\/p>\n\n\n\n

\u8fd1\u5e74\u4eba\u5de5\u667a\u80fd\u7684\u5e94\u7528\u5df2\u7ecf\u9010\u6e10\u8d70\u8fdb\u5927\u4f17\u7684\u89c6\u91ce\uff0c\u800c\u5728\u79d1\u7814\u9886\u57df\uff0c\u57fa\u4e8e\u673a\u5668\u5b66\u4e60\u7684\u4eba\u5de5\u667a\u80fd\u7cfb\u7edf\u4e5f\u65e9\u5df2\u88ab\u4e16\u754c\u77e5\u540d\u7684\u79d1\u7814\u673a\u6784\u7528\u4e8e\u534f\u52a9\u79d1\u5b66\u5bb6\u5b8c\u6210\u4e00\u9879\u53c8\u4e00\u9879\u8270\u6df1\u7684\u7814\u7a76\uff0c\u79d1\u7814\u6a21\u5f0f\u7684\u53d8\u9769\u65e9\u5df2\u542f\u52a8\u3002<\/p>\n\n\n\n

AI + \u81ea\u52a8\u5316\u6280\u672f<\/strong>\uff0c\u6df1\u53d7\u4e16\u754c\u77e5\u540d\u79d1\u7814\u516c\u53f8\u9752\u7750<\/strong><\/span><\/p>\n\n\n\n

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\u968f\u673a\u68ee\u6797\u7b97\u6cd5<\/strong> – \u666e\u6797\u65af\u987f\u5927\u5b66 x \u9ed8\u514b<\/strong><\/p>\n\n\n\n

\u65e9\u5728 2018 \u5e74\uff0c\u666e\u6797\u65af\u987f\u5927\u5b66\u7684 Abigail Doyle \u6559\u6388\u5c31\u4e0e\u7f8e\u56fd\u9ed8\u514b (Merck) \u7684 Spencer Dreher \u535a\u58eb\u7b49\u5408\u4f5c\uff0c\u4ee5\u673a\u5668\u5b66\u4e60\u7b97\u6cd5 \u2014\u2014 \u968f\u673a\u68ee\u6797\u7b97\u6cd5 (Random Forest Algorithm)\uff0c\u52a0\u4e0a\u901a\u8fc7\u9ad8\u901a\u91cf\u5b9e\u9a8c\u83b7\u5f97\u7684\u8fc7\u5343\u9879\u6570\u636e\u8fdb\u884c\u8bad\u7ec3\uff0c\u51c6\u786e\u9884\u6d4b\u4e86\u591a\u7ef4\u53d8\u91cf\u7684 Buchwald-Hartwig \u5076\u8054\u53cd\u5e94\u4ea7\u7387\u3002Buchwald-Hartwig \u53cd\u5e94\u5728\u836f\u7269\u5408\u6210\u4e2d\u5177\u6709\u5e7f\u6cdb\u7684\u4ef7\u503c\uff0c\u7136\u800c\uff0c\u5c06\u8fd9\u4e00\u53cd\u5e94\u5e94\u7528\u4e8e\u590d\u6742\u7684\u836f\u7269\u5927\u5206\u5b50\u4ecd\u7136\u5177\u6709\u6311\u6218\u6027\uff0c\u5173\u952e\u5728\u4e8e\u5f53\u4e2d\u7684\u4e94\u5143\u6742\u73af\u5316\u5408\u7269\uff0c\u5982\u5f02\u6076\u5511\u8fd9\u4e9b\u6742\u73af\u5177\u6709\u7c7b\u4f3c\u836f\u7269\u7684\u7279\u6027\uff0c\u4f46\u5408\u6210\u5e76\u4e0d\u5bb9\u6613\uff0c\u56e0\u6b64\u7814\u7a76\u56e2\u961f\u6b64\u6b21\u5bf9 Buchwald-Hartwig \u5076\u8054\u53cd\u5e94\u7684\u7814\u7a76\u522b\u5177\u610f\u4e49\u3002<\/p>\n\n\n\n

\u7531\u4e8e\u53cd\u5e94\u7269\u7684\u7a00\u7f3a\uff0c\u4ee5\u53ca\u5316\u5b66\u7ed3\u6784\u548c\u53cd\u5e94\u7684\u591a\u7ef4\u6027\uff0c\u8fc7\u5f80\u5f88\u96be\u4ea7\u751f\u8db3\u591f\u7684\u6570\u636e\u6216\u4ece\u6570\u636e\u5e93\u4e2d\u83b7\u5f97\u8db3\u591f\u5b8c\u6574\u548c\u4e00\u81f4\u7684\u6570\u636e\u6765\u8fdb\u884c\u4eba\u5de5\u667a\u80fd\u7684\u7b97\u6cd5\u8bad\u7ec3\u3002\u968f\u7740\u7814\u7a76\u7ef4\u5ea6\u7684\u52a0\u6df1\uff0c\u8981\u53d6\u5f97\u6709\u610f\u4e49\u7684\u6570\u636e\u4fbf\u6108\u52a0\u8270\u96be\uff0c\u800c\u5728\u672c\u6b21\u7684\u7814\u7a76\u5f53\u4e2d\uff0c\u5341\u5206\u5173\u952e\u7684\u662f\u7814\u7a76\u4eba\u5458\u5229\u7528\u4e86\u9ed8\u514b\u516c\u53f8\u8f83\u65e9\u524d\u5efa\u7acb\u7684\u9ad8\u901a\u91cf\u53cd\u5e94\u7b5b\u9009\u5e73\u53f0\uff0c\u8be5\u9ad8\u901a\u91cf\u5b9e\u9a8c\u5e73\u53f0\u53ef\u4ee5\u5728\u4e00\u5929\u5185\u8fdb\u884c\u8d85\u8fc7 1500 \u4e2a\u53cd\u5e94\uff0c\u6bcf\u4e2a\u53cd\u5e94\u53ea\u9700\u7528 0.02 \u6beb\u514b\u7684\u6750\u6599\uff0c\u4e3a\u7814\u7a76\u63d0\u4f9b\u4e86\u5927\u91cf\u5b8c\u6574\u53ca\u51c6\u786e\u7684\u6570\u636e\u57fa\u7840\u3002<\/p>\n\n\n\n

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Mobile Robotic Chemist<\/strong> – \u5229\u7269\u6d66\u5927\u5b66<\/strong><\/p>\n\n\n\n

\u9664\u4e86\u666e\u6797\u65af\u987f\u5927\u5b66\u4e0e\u9ed8\u514b\u516c\u53f8\u5408\u4f5c\u7684\u7814\u7a76\u5916\uff0c\u5728 2020 \u5e74\u767b\u4e0a \u300aNature\u300b \u5c01\u9762\u7684\u5229\u7269\u6d66\u5927\u5b66\u81ea\u4e3b\u7814\u53d1\u7684 AI \u5316\u5b66\u5bb6 (Mobile Robotic Chemist)\uff0c\u5229\u7528\u5b9e\u9a8c\u5ba4\u81ea\u52a8\u5316\u548c\u4eba\u5de5\u667a\u80fd\u7684\u7cfb\u7edf\uff0c8 \u5929\u5b8c\u6210 688 \u6b21\u5b9e\u9a8c\uff0c\u4e00\u5468\u65f6\u95f4\u7814\u7a76\u4e86 1000 \u79cd\u50ac\u5316\u914d\u65b9\uff0c\u5e76\u53d1\u73b0\u4e86\u4e00\u79cd\u65b0\u7684\u50ac\u5316\u5242\u3002<\/p>\n\n\n\n

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\u56fe\u7247\u6e90\u81ea\u7f51\u7edc<\/sub><\/em><\/figcaption><\/figure><\/div>\n\n\n\n

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\u81ea\u52a8\u5316\u5408\u6210\u5e73\u53f0<\/strong> – \u9ebb\u7701\u7406\u5de5\u5b66\u9662<\/strong><\/p>\n\n\n\n

\u65e0\u72ec\u6709\u5076\uff0c\u767b\u4e0a \u300aScience\u300b \u7684\u7f8e\u56fd\u9ebb\u7701\u7406\u5de5\u5b66\u9662 (MIT) \u7814\u7a76\u4eba\u5458\u4e5f\u5f00\u53d1\u4e86\u4e00\u79cd\u7ed3\u5408 AI \u8bbe\u8ba1\u5408\u6210\u8def\u7ebf\u548c\u673a\u5668\u4eba\u6267\u884c\u7684\u81ea\u52a8\u5316\u5408\u6210\u5e73\u53f0\u3002<\/p>\n\n\n\n

\u5b9e\u9a8c\u4e2d\uff0c\u5229\u7528\u6570\u636e\u5e93\u4e2d\u7684\u53cd\u5e94\u8bad\u7ec3\u4e86\u4eba\u5de5\u667a\u80fd\u7b97\u6cd5\uff0c\u4e3a\u6307\u5b9a\u5206\u5b50\u63d0\u51fa\u5408\u6210\u8def\u7ebf\uff0c\u5305\u62ec\u53cd\u5e94\u6761\u4ef6\uff0c\u5e76\u6839\u636e\u6b65\u9aa4\u6570\u91cf\u548c\u9884\u6d4b\u4ea7\u91cf\u6765\u8bc4\u4f30\u54ea\u6761\u8def\u5f84\u662f\u6700\u4f73\u3002<\/p>\n\n\n\n

\u540c\u65f6\uff0cMIT \u7814\u7a76\u4eba\u5458\u5728\u65b0\u5f00\u53d1\u7684\u7cfb\u7edf\u4e0a\u7ed3\u5408\u4e86\u4e09\u4e2a\u4e3b\u8981\u6b65\u9aa4\uff1a\u9996\u5148\uff0c\u7531\u4eba\u5de5\u667a\u80fd\u6307\u5bfc\u7684\u8f6f\u4ef6\u63d0\u51fa\u4e86\u5408\u6210\u5206\u5b50\u7684\u9014\u5f84\uff0c\u7136\u540e\u4e13\u5bb6\u5316\u5b66\u5bb6\u5ba1\u67e5\u8fd9\u6761\u8def\u7ebf\u5e76\u5c06\u5176\u7ec6\u5316\u4e3a\u5316\u5b66 \u201c\u914d\u65b9\u201d\uff0c\u6700\u540e\u5c06\u914d\u65b9\u53d1\u9001\u5230\u673a\u5668\u4eba\u5e73\u53f0\uff0c\u81ea\u52a8\u7ec4\u88c5\u786c\u4ef6\u5e76\u6267\u884c\u53cd\u5e94\u6784\u5efa\u5206\u5b50\u3002<\/p>\n\n\n\n

\u6b64\u5916\uff0c\u8be5\u7cfb\u7edf\u62e5\u6709\u4e00\u4e2a\u7075\u6d3b\u7684\u673a\u5668\u4eba\u624b\u81c2\uff0c\u80fd\u591f\u6267\u884c\u6240\u6709\u5408\u6210\u64cd\u4f5c\u6d41\u7a0b\uff0c\u5b9e\u73b0\u81ea\u52a8\u5316\u5408\u6210\uff0c\u5e76\u6210\u529f\u7528\u4e8e 15 \u4e2a\u5316\u5b66\u5c0f\u5206\u5b50\u836f\u7269\u7684\u5408\u6210\u8def\u7ebf\u8bbe\u8ba1\u548c\u81ea\u52a8\u5316\u5408\u6210\u3002<\/p>\n\n\n\n

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RoboRXN – IBM<\/strong><\/p>\n\n\n\n

IBM \u7814\u7a76\u4e2d\u5fc3\u4e5f\u4e0e\u5b9e\u9a8c\u5ba4\u81ea\u52a8\u5316\u7684\u4e13\u4e1a\u54c1\u724c Chemspeed \u5408\u4f5c\uff0c\u5efa\u7acb\u4e86\u4ee5 AI \u9a71\u52a8\u7684 RoboRXN \u5316\u5b66\u5b9e\u9a8c\u5ba4\u3002\u8fd9\u4e00\u5b9e\u9a8c\u5ba4\u878d\u5408\u4e86\u4e91\u6280\u672f\u3001AI \u548c\u81ea\u52a8\u5316\u9ad8\u901a\u91cf\u5b9e\u9a8c\u5de5\u4f5c\u7ad9\uff0c\u6539\u53d8\u4e86\u5316\u5b66\u5bb6\u7684\u5de5\u4f5c\u65b9\u5f0f\uff0c\u6781\u5927\u5730\u52a0\u901f\u4e86\u7814\u53d1\u6548\u7387\u3002<\/p>\n\n\n\n

\"\"
\u56fe\u7247\u6e90\u81ea\u7f51\u7edc<\/sub><\/em><\/figcaption><\/figure>\n\n\n\n

\u4ee5\u4e0a\u7684\u7814\u7a76\u90fd\u8bf4\u660e\u4e86\u4eba\u5de5\u667a\u80fd\u6280\u672f\u5728\u79d1\u5b66\u7814\u7a76\u9886\u57df\u7684\u5de8\u5927\u6f5c\u529b\uff0c\u4f46\u662f\u7eb5\u89c2\u6240\u6709\u7684\u4eba\u5de5\u667a\u80fd\u5728\u5316\u5b66\u7814\u7a76\u4e0a\u7684\u5e94\u7528\u6848\u4f8b\uff0c\u65e0\u4e00\u4f8b\u5916\u7684\u90fd\u79bb\u4e0d\u5f00\u81ea\u52a8\u5316\u5b9e\u9a8c\u6280\u672f\u3002\u4f5c\u4e3a \u201c\u786c\u4ef6\u8bbe\u65bd\u201d\uff0c\u81ea\u52a8\u5316\u6280\u672f\u6267\u884c AI  (\u201c\u8f6f\u4ef6\u201d) \u63d0\u4f9b\u7684\u6700\u4f18\u5316\u5b9e\u9a8c\u65b9\u6848\uff0c\u5e76\u63d0\u4f9b\u5927\u91cf\u7684\u5b8c\u6574\u4e14\u51c6\u786e\u7684\u6570\u636e\u3002\u4f5c\u4e3a \u201c\u8f6f\u4ef6\u8bbe\u65bd\u201d\uff0c\u4eba\u5de5\u667a\u80fd\u7cfb\u7edf\u53ef\u4ee5\u5229\u7528\u8fd9\u4e9b\u6570\u636e\u8fdb\u884c\u8bad\u7ec3\u53ca\u6f14\u7b97\uff0c\u5feb\u901f\u9884\u6d4b\u7814\u7a76\u7ed3\u679c\uff0c\u5e76\u5b8c\u6210\u5b9e\u9a8c\u7684\u8fed\u4ee3\u5e76\u4f18\u5316\u8fc7\u7a0b\uff0c\u5e2e\u52a9\u79d1\u5b66\u5bb6\u5feb\u901f\u627e\u5230\u6709\u4ef7\u503c\u7684\u7814\u7a76\u65b9\u5411\uff0c\u51cf\u5c11\u5927\u91cf\u7684\u5b9e\u9a8c\u65f6\u95f4\u548c\u7814\u7a76\u6210\u672c\u3002\u79d1\u7814\u7684\u53d8\u9769\u5df2\u7136\u542f\u52a8\uff0c\u672a\u6765\uff0c\u4eba\u5de5\u667a\u80fd\u7684\u6280\u8853\u5fc5\u7136\u5c06\u66f4\u5e7f\u6cdb\u5e94\u7528\u5728\u79d1\u5b66\u7814\u7a76\u9886\u57df\uff0c\u63a8\u52a8\u79d1\u5b66\u7684\u8fdb\u6b65\u3002<\/p>\n\n\n\n

\u60f3\u6784\u5efa\u53ef\u7ed3\u5408\u4eba\u5de5\u667a\u80fd\u7684\u5b9e\u9a8c\u5ba4\uff1f\u6b22\u8fce\u8054\u7cfb\u529b\u626c\uff0c\u6211\u4eec\u4f1a\u4e3a\u4f60\u63d0\u4f9b\u524d\u6cbf\u7684\u5b9e\u9a8c\u5ba4\u89e3\u6c7a\u65b9\u6848\u3002<\/p>\n\n\n\n

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\u53c2\u8003\u8d44\u6599:<\/sub><\/p>\n\n\n\n

Ahneman DT, Estrada JG, Lin S, Dreher SD, Doyle AG. Predicting reaction performance in C-N cross-coupling using machine learning. Science. 2018 Apr 13;360(6385):186-190.<\/sub><\/em><\/p>\n\n\n\n

Buitrago Santanilla A, Regalado EL, Pereira T, Shevlin M, Bateman K, Campeau LC, Schneeweis J, Berritt S, Shi ZC, Nantermet P, Liu Y, Helmy R, Welch CJ, Vachal P, Davies IW, Cernak T, Dreher SD. Organic chemistry. Nanomole-scale high-throughput chemistry for the synthesis of complex molecules. Science. 2015 Jan 2;347(6217):49-53.<\/sub><\/em><\/p>\n\n\n\n

http:\/\/www.vastprotech.com\/news_detail\/id\/142.html<\/sub><\/em><\/p>\n\n\n\n


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