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\u6587\u7ae0\u6765\u6e90\u4e8e\u4e92\u8054\u7f51:\u4e3a AI \u52a9\u529b\u836f\u7269\u53d1\u73b0\u7684\u65b9\u6cd5<\/a><\/p>\n

<\/a><\/section>\n

\u7f16\u8f91\u4e28toileter<\/p>\n

\u5728\u5386\u53f2\u4e0a\uff0c\u836f\u7269\u7814\u53d1\u5411\u6765\u662f\u5403\u529b\u4e14\u6548\u7387\u4f4e\u4e0b\u3002\u5fb7\u56fd\u6c49\u5821\u751f\u7269\u6280\u672f\u516c\u53f8 Evotec \u7684\u8ba1\u7b97\u5316\u5b66\u5bb6 David Pardoe \u8bf4\uff0c\u5728\u8fc7\u53bb\u7684\u4e00\u767e\u5e74\u91cc\uff0c\u53ea\u53d1\u73b0\u4e86\u7ea6 7000 \u79cd\u7f55\u89c1\u75c5\u7684\u5927\u6982 500 \u79cd\u6cbb\u7597\u65b9\u6cd5\u3002\u4f46\u4ece\u7406\u8bba\u4e0a\u8bb2\uff0cAI \u53ef\u4ee5\u89e3\u51b3\u5f53\u524d\u7684\u4e24\u4e2a\u95ee\u9898\uff1a\u8017\u65f6\u4e0e\u9ad8\u6210\u672c\u3002<\/p>\n

AI \u80fd\u591f\u5c06\u6f5c\u5728\u836f\u7269\u6837\u5206\u5b50\u7684 3D \u51e0\u4f55\u5f62\u72b6\u548c\u539f\u5b50\u7ed3\u6784\u7ed3\u5408\u5728\u4e00\u8d77\uff0c\u5e76\u6784\u5efa\u5b83\u5982\u4f55\u9002\u5e94\u5176\u76ee\u6807\u86cb\u767d\u8d28\u7684\u56fe\u7247\u3002\u7136\u540e\u53ef\u4ee5\u8c03\u6574\u8bbe\u8ba1\u4ee5\u4f7f\u6f5c\u5728\u836f\u7269\u66f4\u6709\u6548\uff0c\u6216\u8005\u7b97\u6cd5\u53ef\u80fd\u4f1a\u786e\u5b9a\u8981\u8ffd\u6c42\u7684\u5168\u65b0\u9776\u70b9\u3002<\/p>\n

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\u4e3a\u4e86\u89e3\u51b3\u7814\u7a76\u8005\u4eec\u8feb\u5207\u7684\u9700\u8981\uff0c\u300aNature\u300b\u671f\u520a\u8fd1\u671f\u8fdb\u884c\u4e86\u91c7\u8bbf\uff0c\u5c31\u54ea\u4e9b\u95ee\u9898\u4e9f\u987b\u89e3\u51b3\u8fdb\u884c\u4e86\u68b3\u7406\uff0c\u5e0c\u671b\u80fd AI \u80fd\u591f\u6309\u7167\u8bb8\u591a\u4eba\u9700\u6c42\u7684\u7a0b\u5ea6\u6539\u53d8\u836f\u7269\u53d1\u73b0\u548c\u5f00\u53d1\u3002<\/p>\n

\u6807\u51c6\u5316\u62a5\u544a\u548c\u65b9\u6cd5<\/strong><\/p>\n

\u5b66\u672f\u79d1\u5b66\u5bb6\u4ee5\u5176\u7075\u6d3b\u6027\u800c\u81ea\u8c6a\u3002\u5982\u6709\u66f4\u52a0\u5b8c\u5584\u7684\u5de5\u827a\u5f97\u4ee5\u5438\u6536\u8fdb\u5b66\u4e60\u65b9\u6cd5\u4e2d\uff0c\u4ed6\u4eec\u6c42\u4e4b\u4e0d\u5f97\u3002\u4f46\u8fd9\u79cd\u601d\u7ef4\u65b9\u5f0f\u5e38\u4f1a\u4e3a AI \u5e26\u6765\u5b66\u4e60\u4e0a\u7684\u95ee\u9898\u3002<\/p>\n

\u5f53\u4e0d\u540c\u7684\u5b9e\u9a8c\u5ba4\u4f7f\u7528\u4e0d\u540c\u7684\u65b9\u6cd5\u3001\u8bd5\u5242\u548c\u673a\u5668\u65f6\uff0c\u7ed3\u679c\u6570\u636e\u4e2d\u53ef\u80fd\u4f1a\u5f15\u5165\u79f0\u4e3a\u6279\u6b21\u6548\u5e94\u7684\u5dee\u5f02\u3002\u8fd9\u5c31\u5e26\u6765\u4e86\u6570\u636e\u6a21\u578b\u4e0a\u7684\u504f\u5dee\uff0c\u800c\u8fd9\u5728 AI \u5b66\u4e60\u4e0a\u6781\u4e3a\u81f4\u547d\u3002AI \u4f1a\u8fdb\u884c\u8bef\u5224\uff0c\u800c\u8fd9\u524a\u5f31\u4e86\u5728 AI \u6d6a\u6f6e\u4e4b\u524d\u63a8\u51fa\u7684\u8bb8\u591a\u5927\u578b\u516c\u5171\u6570\u636e\u5e93\u7684\u6548\u7528\u3002<\/p>\n

\u4e00\u4e9b\u4eba\u8ba4\u4e3a\uff0c\u751f\u6210 AI \u6240\u9700\u7684\u6709\u5e8f\u6570\u636e\u7684\u6700\u4f73\u65b9\u6cd5\u662f\u5236\u5b9a\u5982\u4f55\u8fd0\u884c\u548c\u62a5\u544a\u5b9e\u9a8c\u7684\u89c4\u5219\u3002\u4eba\u7c7b\u7ec6\u80de\u56fe\u8c31\u5c31\u662f\u4e00\u4e2a\u4f8b\u5b50\uff0c\u8fd9\u662f\u4e00\u4e2a\u4e8e 2016 \u5e74\u542f\u52a8\u7684\u5168\u7403\u9879\u76ee\uff0c\u5df2\u7ecf\u4ee5\u4e25\u683c\u548c\u6807\u51c6\u5316\u7684\u65b9\u5f0f\u7ed8\u5236\u4e86\u4eba\u4f53\u4e2d\u6570\u767e\u4e07\u4e2a\u7ec6\u80de\u7684\u56fe\u8c31\u3002\u8be5\u9879\u76ee\u63d0\u4f9b\u4e86\u4e00\u81f4\u7684\u6570\u636e\uff0c\u662f\u5bfb\u627e\u6f5c\u5728\u836f\u7269\u9776\u70b9\u7684 AI \u7b97\u6cd5\u7684\u7406\u60f3\u7d20\u6750\u3002<\/p>\n

<\/a><\/section>\n

\u56fe\u793a\uff1a\u4eba\u7c7b\u80ba\u7ec6\u80de\u56fe\u8c31\uff08\u56fe\u6e90\uff1a\u7f51\u7edc\uff09<\/p>\n

Pardoe \u8868\u793a\uff0c\u5982\u679c\u4e0d\u8fdb\u4e00\u6b65\u52aa\u529b\u751f\u6210\u534f\u8c03\u548c\u76f8\u5173\u7684\u6570\u636e\uff0c\u7ee7\u7eed\u5f00\u53d1\u66f4\u5148\u8fdb\u7684\u7b97\u6cd5\u53ef\u80fd\u6ca1\u6709\u4ec0\u4e48\u4ef7\u503c\u3002\u300e\u4e00\u65e6\u6709\u4e86\u8fd9\u4e9b\u300c\u597d\u300d\u6570\u636e\uff0c\u6211\u4eec\u5c31\u53ef\u4ee5\u671d\u7740\u6b63\u786e\u7684\u65b9\u5411\u53d6\u5f97\u5feb\u901f\u800c\u91cd\u5927\u7684\u8fdb\u5c55\u3002\u300f<\/p>\n

\u8ba4\u8bc6\u5230\u8d1f\u9762\u7ed3\u679c\u7684\u4ef7\u503c<\/strong><\/p>\n

\u5bf9\u4e8e\u5b66\u672f\u7814\u7a76\u4eba\u5458\u6765\u8bf4\uff0c\u62a5\u544a\u5b9e\u9a8c\u5931\u8d25\u901a\u5e38\u6ca1\u6709\u4ec0\u4e48\u597d\u5904\u3002\u6b64\u7c7b\u7814\u7a76\u62a5\u544a\u901a\u5e38\u5f88\u96be\u53d1\u8868\u3002\u8fd9\u79cd\u5bf9\u79d1\u5b66\u79ef\u6781\u7ed3\u679c\u7684\u5185\u5728\u504f\u89c1\u5e76\u4e0d\u662f\u4ec0\u4e48\u65b0\u9c9c\u4e8b\uff0c\u4f46\u5b83\u5bf9 AI \u7684\u4f7f\u7528\u63d0\u51fa\u4e86\u4e00\u4e2a\u7279\u6b8a\u7684\u95ee\u9898\u3002<\/p>\n

\u4f26\u6566\u56fd\u738b\u5b66\u9662\uff08King’s College London\uff09\u7684\u836f\u7269\u5316\u5b66\u5bb6\u7c73\u62c9\u5179\u00b7\u62c9\u8d6b\u66fc\uff08Miraz Rahman\uff09\u6307\u51fa\u4e86\u5728\u5bfb\u6c42\u65b0\u6297\u751f\u7d20\u65f6\u5b58\u5728\u8fd9\u79cd\u504f\u89c1\u7684\u4e00\u4e2a\u4f8b\u5b50\u3002<\/p>\n

\u8bb8\u591a\u5df2\u53d1\u8868\u7684\u7814\u7a76\u8868\u660e\uff0c\u4f2f\u80fa\uff08\u7ed3\u6784\u7c7b\u4f3c\u4e8e\u6c28\u7684\u5c0f\u5316\u5408\u7269\uff09\u6709\u52a9\u4e8e\u5c06\u836f\u7269\u8fdb\u5165\u7ec6\u83cc\u5185\u90e8\u3002\u4f46\u4ed6\u5728\u8be2\u95ee\u6a21\u578b\u65f6\uff0c\u5b83\u4e0d\u65ad\u5730\u63d0\u4f9b\u6216\u6697\u793a\u542b\u6709\u4f2f\u80fa\u7684\u65b9\u6848\u3002\u800c\u8fd9\u5bf9\u4ed6\u7684\u7814\u7a76\u6839\u672c\u4e0d\u8d77\u4f5c\u7528\u3002<\/p>\n

\u89e3\u51b3\u8fd9\u4e2a\u95ee\u9898\u7684\u4e00\u79cd\u65b9\u6cd5\u662f\u4ece\u7f16\u8bd1\u8d1f\u9762\u548c\u6b63\u9762\u7ed3\u679c\u7684\u660e\u786e\u610f\u56fe\u5f00\u59cb\u3002\u52a0\u5dde\u5927\u5b66\u65e7\u91d1\u5c71\u5206\u6821\u7684\u7ed3\u6784\u751f\u7269\u5b66\u5bb6\u8a79\u59c6\u65af\u00b7\u5f17\u96f7\u6cfd\uff08James Fraser\uff09\u9886\u5bfc\u4e86\u4e00\u4e2a\u5173\u4e8e\u836f\u7269\u5728\u4eba\u4f53\u5185\u4e00\u7cfb\u5217\u5438\u6536\u3001\u5206\u5e03\u3001\u4ee3\u8c22\u7b49\u8fc7\u7a0b\uff08\u7edf\u79f0\u4e3a ADME\uff09\u7684\u7814\u7a76\u3002\u4ed6\u9009\u62e9\u5efa\u7acb\u4e00\u4e2a\u4e0e ADME \u76f8\u5173\u7684\u86cb\u767d\u8d28\u7ed3\u5408\u5b9e\u9a8c\u548c\u7ed3\u6784\u6570\u636e\u96c6\u5e93\uff0c\u4ee5\u6b64\u6765\u521b\u5efa\u9884\u6d4b\u6027 AI \u6a21\u578b\uff0c\u4f18\u5316\u5019\u9009\u836f\u7269\u7684\u836f\u4ee3\u52a8\u529b\u5b66\u3002<\/p>\n

\u5229\u7528\u8d44\u6e90\u53bb\u505a\u66f4\u591a<\/strong><\/p>\n

\u5236\u836f\u516c\u53f8\u4fdd\u7559\u5927\u91cf\u6570\u636e\uff0c\u5305\u62ec\u8d1f\u9762\u7ed3\u679c\uff0c\u5e76\u52aa\u529b\u4ee5\u6807\u51c6\u65b9\u5f0f\u6536\u96c6\u8fd9\u4e9b\u6570\u636e\uff0c\u4f7f\u5176\u6210\u4e3a AI \u6a21\u578b\u6d88\u5316\u7684\u7406\u60f3\u9009\u62e9\u3002\u7136\u800c\uff0c\u8fd9\u4e9b\u6570\u636e\u4e2d\u53ea\u6709\u4e00\u5c0f\u90e8\u5206\u8fdb\u5165\u4e86\u516c\u5171\u9886\u57df\uff0c\u5373\u4f7f\u8fd9\u4e9b\u8d44\u6e90\u7684\u4ef7\u503c\u6ca1\u6709\u968f\u7740\u516c\u53f8\u672c\u8eab\u800c\u4e22\u5931\u3002<\/p>\n

\u4e00\u4e9b\u7814\u7a76\u4eba\u5458\u8ba4\u4e3a\uff0c\u5e9e\u5927\u7684\u6570\u636e\u91cf\u548c\u66f4\u667a\u80fd\u7684\u5904\u7406\u5c06\u5927\u5927\u6709\u52a9\u4e8e\u514b\u670d\u4f7f\u7528 AI \u8fdb\u884c\u836f\u7269\u53d1\u73b0\u7684\u56f0\u96be\u3002<\/p>\n

\u4f4d\u4e8e\u9a6c\u8428\u8bf8\u585e\u5dde\u6ce2\u58eb\u987f\u7684\u4eba\u5de5\u667a\u80fd\u751f\u7269\u6280\u672f\u516c\u53f8\u00a0Insilico Medicine\u00a0\u5c06\u7f8e\u56fd\u653f\u5e9c\u6570\u5341\u4ebf\u7f8e\u5143\u7814\u7a76\u8d44\u52a9\u4ea7\u751f\u7684\u6570\u636e\u4e0e\u51fa\u7248\u7269\u3001\u4e34\u5e8a\u8bd5\u9a8c\u3001\u4e13\u5229\u4ee5\u53ca\u9057\u4f20\u548c\u5316\u5b66\u6570\u636e\u5b58\u50a8\u5e93\u8054\u7cfb\u8d77\u6765\uff0c\u7136\u540e\u5bf9\u8fd9\u79cd\u539f\u6750\u6599\u8fdb\u884c\u52a0\u5de5\u3002<\/p>\n

<\/a><\/section>\n

\u56fe\u793a\uff1aInsilico Medicine\uff08\u56fe\u6e90\uff1a\u7f51\u7edc\uff09<\/p>\n

2019 \u5e74\u5e95\uff0cInsilico \u7684\u4eba\u5de5\u667a\u80fd\u9a71\u52a8\u836f\u7269\u53d1\u73b0\u5e73\u53f0\u00a0PandaOmics\u00a0\u53d1\u73b0\u4e86\u6d89\u53ca\u8fc7\u591a\u75a4\u75d5\u7ec4\u7ec7\u7684\u7ea4\u7ef4\u5316\u75be\u75c5\u7684\u9776\u70b9\u3002\u7136\u540e\uff0c\u5b83\u4f7f\u7528\u5176\u751f\u6210\u5f0f AI \u5e73\u53f0 Chemistry42 \u6765\u5bfb\u627e\u53ef\u4ee5\u963b\u65ad\u8be5\u9776\u6807\u7684\u5316\u5408\u7269\u3002<\/p>\n

AI \u65e0\u7591\u66f4\u96be\u5229\u7528\u4e00\u4e9b\u5927\u578b\u516c\u5171\u6570\u636e\u6c60\uff0c\u8b6c\u5982\u5c06\u5927\u91cf RNA \u5e8f\u5217\u7eb3\u5165\u8003\u8651\u8303\u56f4\u3002\u5b83\u4eec\u4ece\u6363\u788e\u7684\u7ec4\u7ec7\u6837\u672c\u4e2d\u6c47\u7f16\u800c\u6210\uff0c\u5bf9\u8bb8\u591a\u7ec6\u80de\u7684\u57fa\u56e0\u8f93\u51fa\u8fdb\u884c\u6574\u5408\u3002<\/p>\n

\u9664\u6b64\u4e4b\u5916\u4e5f\u53ef\u4ee5\u521b\u5efa\u66f4\u5c0f\u3001\u66f4\u9ad8\u8d28\u91cf\u7684\u6570\u636e\u96c6\uff0c\u8fd9\u4e9b\u6570\u636e\u96c6\u53ef\u7528\u4e8e\u6d4b\u8bd5\u5728\u66f4\u5927\u6216\u53ef\u80fd\u5b58\u5728\u7f3a\u9677\u7684\u6570\u636e\u96c6\u4e0a\u8bad\u7ec3\u7684 AI \u6a21\u578b\u662f\u5426\u80fd\u505a\u51fa\u826f\u597d\u7684\u9884\u6d4b\u3002\u901a\u8fc7\u81ea\u52a8\u5316\u5b9e\u9a8c\u5ba4\uff0c\u9ad8\u8d28\u91cf\u7684\u7279\u5b9a\u7c7b\u578b\u6570\u636e\u5f97\u4ee5\u88ab\u6536\u5f55\u3002<\/p>\n

\u76f8\u5173\u94fe\u63a5\uff1ahttps:\/\/www.nature.com\/articles\/d41586-025-00602-5<\/p>\n

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