{"id":38108,"date":"2025-02-10T08:01:29","date_gmt":"2025-02-10T00:01:29","guid":{"rendered":"https:\/\/17aitech.com\/?p=38108"},"modified":"2025-02-10T08:01:29","modified_gmt":"2025-02-10T00:01:29","slug":"llm%e8%87%aa%e4%b8%bb%e5%8f%91%e7%8e%b0%e5%8f%91%e8%a1%a8%e5%9c%a8nature%e4%b8%8a%e7%9a%84%e7%a7%91%e5%ad%a6%e5%81%87%e8%ae%be%ef%bc%9ficlr-2025-%e8%ae%ba%e6%96%87moose-chem%e6%b7%b1%e5%ba%a6%e8%a7%a3","status":"publish","type":"post","link":"https:\/\/17aitech.com\/?p=38108","title":{"rendered":"LLM\u81ea\u4e3b\u53d1\u73b0\u53d1\u8868\u5728Nature\u4e0a\u7684\u79d1\u5b66\u5047\u8bbe\uff1fICLR 2025 \u8bba\u6587MOOSE-Chem\u6df1\u5ea6\u89e3\u6790"},"content":{"rendered":"

\u6587\u7ae0\u6765\u6e90\u4e8e\u4e92\u8054\u7f51:LLM\u81ea\u4e3b\u53d1\u73b0\u53d1\u8868\u5728Nature\u4e0a\u7684\u79d1\u5b66\u5047\u8bbe\uff1fICLR 2025 \u8bba\u6587MOOSE-Chem\u6df1\u5ea6\u89e3\u6790<\/a><\/p>\n

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\u7f16\u8f91 | ScienceAI<\/p>\n

\u4eba\u5de5\u667a\u80fd\u7684\u4e0b\u4e00\u4e2a\u524d\u6cbf\uff0c\u4e0d\u4ec5\u662f\u8bed\u8a00\u3001\u56fe\u50cf\uff0c\u800c\u662f\u79d1\u5b66\u53d1\u73b0\u672c\u8eab\u3002<\/p>\n

\u8fd1\u5e74\u6765\uff0c\u4eba\u5de5\u667a\u80fd\uff08AI\uff09\u5df2\u7ecf\u5728\u81ea\u7136\u8bed\u8a00\u5904\u7406\uff08NLP\uff09\u3001\u8ba1\u7b97\u673a\u89c6\u89c9\uff08CV\uff09\u7b49\u9886\u57df\u53d6\u5f97\u5de8\u5927\u6210\u529f\u3002\u4f46 AI \u662f\u5426\u80fd\u591f\u5e2e\u52a9\u79d1\u5b66\u5bb6\u53d1\u73b0\u65b0\u7684\u79d1\u5b66\u7406\u8bba\uff1f<\/p>\n

\u5728 ICLR 2025 \u63a5\u6536\u7684\u4e00\u7bc7\u8bba\u6587\u300aMOOSE-Chem: Large Language Models for Rediscovering Unseen Chemistry Scientific Hypotheses<\/em>\u300b\u63d0\u51fa\u4e86\u4e00\u4e2a\u4ee4\u4eba\u5174\u594b\u7684\u95ee\u9898\uff1a<\/p>\n

\u5927\u6a21\u578b\uff08LLMs\uff09\u80fd\u5426\u5728\u4ec5\u4f9d\u8d56\u5316\u5b66\u7814\u7a76\u80cc\u666f\u4fe1\u606f\u7684\u60c5\u51b5\u4e0b\uff0c\u81ea\u52a8\u53d1\u73b0\u65b0\u7684\u3001\u6709\u6548\u7684\u5316\u5b66\u79d1\u5b66\u5047\u8bbe\uff1f<\/p>\n

\u8fd9\u9879\u7814\u7a76\u53d1\u73b0 LLM \u53ef\u4ee5\u81ea\u4e3b\u53d1\u73b0\u65b0\u9896\uff08novel\uff09\u4e14\u53ef\u884c\uff08valid\uff09\u7684\u79d1\u5b66\u5047\u8bbe\uff0c\u751a\u81f3\u53ef\u4ee5\u91cd\u65b0\u53d1\u73b0\u90a3\u4e9b\u5df2\u7ecf\u53d1\u8868\u5728 Nature, Science \u4e0a\u7684\u9876\u7ea7\u5316\u5b66\u79d1\u5b66\u5047\u8bbe\u3002<\/p>\n

\u8fd9\u9879\u7814\u7a76\u901a\u8fc7\u5212\u5206\u4f7f\u7528\u7684 LLM \u7684 pretrain data \u7684\u622a\u6b62\u65f6\u95f4\uff0c\u4e0e Nature, Science \u4e0a\u6587\u7ae0\u7684 online \u65f6\u95f4\u786e\u4fdd\u8fd9\u79cd\u91cd\u65b0\u53d1\u73b0\u4e0d\u662f\u7531\u4e8e\u6570\u636e\u6c61\u67d3\uff08data contamination\uff09\uff0c\u800c\u662f\u7531\u4e8e LLM \u672c\u8eab\u7684\u80fd\u529b\u3002<\/p>\n

\u8fd9\u9879\u7814\u7a76\u4e0d\u4ec5\u63d0\u4f9b\u4e86\u5173\u4e8e\u79d1\u5b66\u5047\u8bbe\u5f62\u6210\u7684\u6570\u5b66\u5efa\u6a21\uff0c\u8fd8\u63d0\u51fa\u4e86 Agentic AI for scientific discovery \u7684 framework\uff0c\u8ba9 LLM \u80fd\u591f\u81ea\u52a8\u751f\u6210\u5e76\u7b5b\u9009\u79d1\u5b66\u5047\u8bbe\uff0c\u4e3a AI \u5728\u79d1\u5b66\u7814\u7a76\u4e2d\u7684\u5e94\u7528\u63d0\u4f9b\u4e86\u65b0\u601d\u8def\u3002<\/p>\n

<\/a><\/p>\n

\u8bba\u6587\u94fe\u63a5\uff1ahttps:\/\/arxiv.org\/abs\/2410.07076<\/em><\/section>\n

MOOSE-Chem \u7814\u7a76\u7684\u6838\u5fc3\u5047\u8bbe\u662f\uff1a<\/p>\n

\u5316\u5b66\u7814\u7a76\u5047\u8bbe h<\/em> \u4e0d\u662f\u51ed\u7a7a\u521b\u9020\u7684\uff0c\u800c\u662f\u7531\u7814\u7a76\u80cc\u666f b<\/em> \u548c\u82e5\u5e72\u7814\u7a76\u7075\u611f i<\/em> \u7ec4\u5408\u800c\u6210\u7684\u3002<\/p>\n

\u7814\u7a76\u56e2\u961f\u901a\u8fc7\u8ba4\u77e5\u79d1\u5b66\u3001\u8bba\u6587\u5206\u6790\u548c\u6570\u5b66\u5efa\u6a21\uff0c\u7cfb\u7edf\u6027\u5730\u9a8c\u8bc1\u4e86\u8fd9\u4e00\u5047\u8bbe\u7684\u5408\u7406\u6027\uff0c\u5e76\u5efa\u7acb\u4e86\u6570\u5b66\u63a8\u5bfc\uff0c\u5f62\u6210 AI \u53ef\u6267\u884c\u7684\u79d1\u5b66\u53d1\u73b0\u6846\u67b6\u3002<\/p>\n

MOOSE-Chem \u6838\u5fc3\u5047\u8bbe\u7684\u63d0\u51fa<\/strong><\/p>\n

(1) \u8ba4\u77e5\u79d1\u5b66\u7684\u542f\u53d1<\/strong><\/p>\n

\u521b\u9020\u529b\u7814\u7a76\u8868\u660e\uff0c\u521b\u65b0\u901a\u5e38\u6765\u81ea\u5df2\u6709\u77e5\u8bc6\u7684\u91cd\u65b0\u7ec4\u5408\uff0c\u8fd9\u4e00\u70b9\u53ef\u4ee5\u8ffd\u6eaf\u5230\uff1a<\/p>\n

\u77e5\u8bc6\u91cd\u7ec4\u7406\u8bba\uff08Knowledge Recombination\uff09\uff08Koestler, 1964\uff09\uff1a\u79d1\u5b66\u53d1\u73b0\u5f80\u5f80\u6e90\u4e8e\u8de8\u9886\u57df\u77e5\u8bc6\u7684\u7ed3\u5408\u3002<\/section>\n
\u8054\u60f3\u7406\u8bba\uff08Association Theory\uff09\uff1a\u521b\u65b0\u901a\u5e38\u901a\u8fc7\u5df2\u6709\u6982\u5ff5\u7684\u8fde\u63a5\u4ea7\u751f\u3002<\/section>\n

\u4f8b\u5982\uff1a<\/p>\n

\u53cd\u5411\u4f20\u64ad\uff08Backpropagation\uff09\u7b97\u6cd5\u6765\u6e90\u4e8e\u300c\u94fe\u5f0f\u6c42\u5bfc + \u591a\u5c42\u795e\u7ecf\u7f51\u7edc\u300d\u3002<\/section>\n
\u8bb8\u591a\u65b0\u578b\u50ac\u5316\u5242\u7684\u53d1\u73b0\u6765\u6e90\u4e8e\u300c\u5df2\u6709\u6750\u6599 + \u65b0\u5de5\u827a\u300d\u7684\u7ed3\u5408\u3002<\/section>\n

\u8fd9\u4e9b\u7406\u8bba\u8868\u660e\uff0c\u5316\u5b66\u7814\u7a76\u5047\u8bbe\u5f88\u53ef\u80fd\u662f\u7531\u80cc\u666f\u77e5\u8bc6\uff08b<\/em>\uff09+ \u7814\u7a76\u7075\u611f\uff08i<\/em>\uff09 \u7ec4\u5408\u4ea7\u751f\u7684\u3002<\/p>\n

(2) \u9876\u7ea7\u5316\u5b66\u8bba\u6587\u7684\u5206\u6790<\/strong><\/p>\n

<\/a><\/p>\n

\u7814\u7a76\u56e2\u961f\u901a\u8fc7\u5229\u7528\u6838\u5fc3\u5047\u8bbe\uff0c\u94fe\u5f0f\u6cd5\u5219\uff0c\u548c\u5f15\u5165\u9a6c\u5c14\u79d1\u592b\u6027\u8d28\uff0c\u5f97\u5230 P<\/em>\uff08 h | b\u00a0\uff09\u7684\u4e00\u4e2a\u7ea6\u7b49\u5f0f\u3002<\/p>\n

<\/a><\/p>\n

\u6700\u7ec8\u7814\u7a76\u56e2\u961f\u5f97\u5230\u00a0<\/a>\u3002\u5176\u4e2d\uff0cI<\/em>\u4ee3\u8868\u6240\u6709\u7684\uff08\u5316\u5b66\uff09\u79d1\u5b66\u6587\u732e\u3002\u8be5\u7ea6\u7b49\u5f0f\u5c06\u590d\u6742\u7684\u96be\u4ee5\u5efa\u6a21\u7684 P<\/em>\uff08 h | b\u00a0\uff09\u8f6c\u6362\u6210\u4e86\u4e00\u7cfb\u5217\u96be\u5ea6\u663e\u8457\u964d\u4f4e\u7684\u53ef\u4ee5\u5efa\u6a21\u7684\u5c0f\u9879\u7684\u4e58\u79ef\u3002<\/p>\n

MOOSE-Chem \u6846\u67b6\u8be6\u89e3\uff1aAI \u5982\u4f55\u8fdb\u884c\u81ea\u52a8\u79d1\u5b66\u53d1\u73b0\uff1f<\/strong><\/p>\n

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

1. \u6587\u732e\u68c0\u7d22\uff08Literature Retrieval\uff09\u2014\u2014\u627e\u5230\u6f5c\u5728\u7814\u7a76\u7075\u611f: \u00a0<\/a><\/strong><\/p>\n

MOOSE-Chem \u5728\u8fd9\u4e00\u8fc7\u7a0b\u4e2d\u4f7f\u7528\u4e86\u5927\u8bed\u8a00\u6a21\u578b\uff08LLMs\uff09\u7ed3\u5408\u4fe1\u606f\u68c0\u7d22\u7684\u65b9\u6cd5\uff0c\u5e2e\u52a9 AI \u4ece\u5927\u91cf\u5316\u5b66\u8bba\u6587\u4e2d\u7b5b\u9009\u51fa\u53ef\u80fd\u7684\u7814\u7a76\u7075\u611f\u3002<\/p>\n

\u65b9\u6cd5\uff1a<\/p>\n

\u57fa\u4e8e LLM \u7684\u8bed\u4e49\u68c0\u7d22<\/p>\n

\u00b7\u7814\u7a76\u80cc\u666f \u4f5c\u4e3a\u8f93\u5165\uff0cLLM \u901a\u8fc7\u8bed\u4e49\u76f8\u4f3c\u6027\u641c\u7d22\uff08Semantic Search\uff09\u5728\u8bba\u6587\u6570\u636e\u5e93 \u4e2d\u627e\u5230\u76f8\u5173\u7814\u7a76\u3002<\/section>\n
\u00b7\u4f8b\u5982\uff0c\u5982\u679c\u7814\u7a76\u80cc\u666f\u6d89\u53ca\u67d0\u79cd\u65b0\u578b\u50ac\u5316\u5242\uff0cLLM \u4f1a\u68c0\u7d22\u76f8\u5173\u7684\u50ac\u5316\u5242\u7814\u7a76\uff0c\u5e76\u63d0\u53d6\u5176\u4e2d\u7684\u5173\u952e\u6280\u672f\u6216\u65b9\u6cd5\u3002<\/section>\n

2. \u5047\u8bbe\u751f\u6210\uff08Hypothesis Generation\uff09\u2014\u2014\u4ece\u80cc\u666f\u548c\u7075\u611f\u6784\u9020\u7814\u7a76\u5047\u8bbe:\u00a0<\/strong><\/a><\/p>\n

\u6709\u4e86\u7814\u7a76\u7075\u611f\u540e\uff0cMOOSE-Chem \u9700\u8981\u6839\u636e\u80cc\u666f\u4fe1\u606f\u548c\u7075\u611f\uff0c\u6784\u9020\u65b0\u7684\u79d1\u5b66\u5047\u8bbe\u3002\u8fd9\u4e2a\u8fc7\u7a0b\u7c7b\u4f3c\u4e8e\u79d1\u5b66\u5bb6\u5728\u5934\u8111\u98ce\u66b4\u65f6\u7ed3\u5408\u5df2\u6709\u77e5\u8bc6\u63d0\u51fa\u7814\u7a76\u65b9\u5411\u3002<\/p>\n

\u65b9\u6cd5\uff1a<\/p>\n

\uff081\uff09\u57fa\u4e8e LLM \u7684 Prompt \u751f\u6210<\/p>\n

<\/a>\u4f8b\u5982\uff0c\u5982\u679c\u80cc\u666f\u6d89\u53ca\u67d0\u79cd\u7535\u5316\u5b66\u53cd\u5e94\uff0c\u7075\u611f\u6765\u81ea\u67d0\u79cd\u65b0\u7684\u50ac\u5316\u6750\u6599\uff0cLLM \u4f1a\u6839\u636e\u65b0\u7684\u50ac\u5316\u6750\u6599\u6765\u6784\u9020\u65b0\u578b\u7535\u5316\u5b66\u65b9\u6848\u3002<\/section>\n

\uff082\uff09\u8fdb\u5316\u4f18\u5316\uff08Evolutionary Optimization\uff09<\/p>\n

\u4ec5\u9760 LLM \u76f4\u63a5\u751f\u6210\u5047\u8bbe\u5e76\u4e0d\u80fd\u4fdd\u8bc1\u5176\u9ad8\u8d28\u91cf\uff0c\u56e0\u6b64 MOOSE-Chem \u8fdb\u4e00\u6b65\u91c7\u7528\u8fdb\u5316\u7b97\u6cd5\uff08Evolutionary Algorithm\uff09\u4f18\u5316\u5047\u8bbe\u3002\u8fd9\u4e00\u8fc7\u7a0b\u5305\u542b\u4e09\u4e2a\u5173\u952e\u6b65\u9aa4\uff1a<\/p>\n

\u53d8\u5f02\uff08Mutation\uff09\uff1a\u5bf9\u521d\u59cb\u5047\u8bbe\u8fdb\u884c\u8c03\u6574\uff0c\u4f8b\u5982\u6539\u53d8\u50ac\u5316\u5242\u7684\u7c7b\u522b\u3001\u8c03\u6574\u53cd\u5e94\u6761\u4ef6\u7b49\uff0c\u4ee5\u63a2\u7d22\u66f4\u591a\u53ef\u80fd\u6027\u3002<\/section>\n
\u7cbe\u70bc\uff08Refinement\uff09\uff1a\u8ba9 LLM \u901a\u8fc7\u81ea\u6211\u53cd\u9988\u673a\u5236\u5bf9\u5047\u8bbe\u8fdb\u884c\u6539\u8fdb\uff0c\u4f7f\u5176\u66f4\u52a0\u79d1\u5b66\u5408\u7406\u3002\u4f8b\u5982\uff0c\u6a21\u578b\u53ef\u80fd\u4f1a\u68c0\u67e5\u662f\u5426\u6709\u8db3\u591f\u7684\u5b9e\u9a8c\u4f9d\u636e\u652f\u6301\u5047\u8bbe\uff0c\u6216\u8c03\u6574\u8868\u8fbe\u65b9\u5f0f\u4ee5\u63d0\u9ad8\u6e05\u6670\u5ea6\u3002<\/section>\n
\u91cd\u7ec4\uff08Recombination\uff09\uff1a\u4ece\u591a\u4e2a\u5047\u8bbe\u53d8\u4f53\u4e2d\u7b5b\u9009\u6700\u4f73\u5143\u7d20\uff0c\u7ec4\u5408\u6210\u6700\u7ec8\u7684\u9ad8\u8d28\u91cf\u5047\u8bbe\u3002\u8fd9\u7c7b\u4f3c\u4e8e\u79d1\u5b66\u5bb6\u5728\u8bba\u6587\u5199\u4f5c\u8fc7\u7a0b\u4e2d\u4e0d\u65ad\u4f18\u5316\u7814\u7a76\u601d\u8def\u7684\u8fc7\u7a0b\u3002<\/section>\n

3. \u5047\u8bbe\u6392\u5e8f\uff08Hypothesis Ranking\uff09\u2014\u2014\u7b5b\u9009\u6700\u4f18\u79d1\u5b66\u5047\u8bbe<\/strong><\/p>\n

MOOSE-Chem \u751f\u6210\u4e86\u591a\u4e2a\u53ef\u80fd\u7684\u7814\u7a76\u5047\u8bbe\uff0c\u4f46\u5e76\u975e\u6240\u6709\u5047\u8bbe\u90fd\u5408\u7406\u3002\u56e0\u6b64\uff0cMOOSE-Chem \u9700\u8981\u5bf9\u751f\u6210\u7684\u5047\u8bbe\u8fdb\u884c\u8bc4\u4f30\uff0c\u5e76\u7b5b\u9009\u51fa\u6700\u4f18\u7684\u79d1\u5b66\u5047\u8bbe\u3002<\/p>\n

\u65b9\u6cd5\uff1a<\/p>\n

\u57fa\u4e8e GPT-4o \u7684\u8bc4\u5206<\/p>\n

\u8ba9 GPT-4o \u8bc4\u4f30\u6bcf\u4e2a\u5047\u8bbe\u7684\u521b\u65b0\u6027\u3001\u5408\u7406\u6027\u3001\u5b9e\u9a8c\u53ef\u884c\u6027\u3002<\/section>\n

\u4e3b\u8981\u5b9e\u9a8c\u7ed3\u679c<\/strong><\/p>\n

1\u3001LLM \u80fd\u591f\u6210\u529f\u8bc6\u522b\u4e0e\u7814\u7a76\u80cc\u666f\u76f8\u5173\u4f46\u672a\u77e5\u7684\u542f\u53d1\u6027\u8bba\u6587<\/strong><\/p>\n

\u5728 3000 \u7bc7\u8bba\u6587\u5e93\u4e2d\uff0cLLM \u80fd\u591f\u627e\u5230 75% \u4ee5\u4e0a\u7684\u771f\u5b9e\u542f\u53d1\u8bba\u6587\uff0c\u5373\u4f7f\u53ea\u7b5b\u9009\u51fa 4% \u7684\u8bba\u6587\u3002<\/section>\n
\u7ed3\u679c\u8868\u660e\uff0cLLM \u53ef\u80fd\u5df2\u7ecf\u5b66\u4e60\u5230\u4e86\u8bb8\u591a\u79d1\u5b66\u5bb6\u672a\u77e5\u7684\u77e5\u8bc6\u5173\u8054\u3002<\/section>\n

2\u3001LLM \u80fd\u591f\u57fa\u4e8e\u5df2\u77e5\u77e5\u8bc6\u63a8\u7406\u51fa\u9ad8\u8d28\u91cf\u7684\u65b0\u77e5\u8bc6<\/strong><\/p>\n

\u91c7\u7528\u4e25\u683c\u80cc\u666f\u4fe1\u606f\u548c\u6587\u732e\u7b5b\u9009\u7b56\u7565\u540e\uff0cLLM \u751f\u6210\u7684\u5047\u8bbe\u4e0e\u771f\u5b9e\u5047\u8bbe\u7684\u76f8\u4f3c\u5ea6\u8f83\u9ad8\uff1a<\/section>\n
28\u4e2a\u5047\u8bbe\u7684\u6700\u9ad8\u5339\u914d\u8bc4\u5206\uff08Top MS\uff09\u4e3a 4 \u6216 5 \u5206\uff08\u6ee1\u5206 5 \u5206\uff09<\/section>\n
\u5176\u4e2d 9 \u4e2a\u5047\u8bbe\u7684\u6700\u9ad8\u5339\u914d\u8bc4\u5206\u8fbe\u5230\u4e86 5 \u5206\uff08\u51e0\u4e4e\u4e0e\u771f\u5b9e\u5047\u8bbe\u4e00\u81f4\uff09<\/section>\n
\u8bf4\u660e LLM \u5177\u5907\u4ece\u80cc\u666f+\u542f\u53d1\u4e2d\u63a8\u7406\u51fa\u521b\u65b0\u6027\u5047\u8bbe\u7684\u80fd\u529b\u3002<\/section>\n

3\u3001LLM \u80fd\u591f\u6709\u6548\u5730\u5bf9\u5047\u8bbe\u8fdb\u884c\u6392\u540d<\/strong><\/p>\n

\u91c7\u7528 LLM \u8bc4\u5206\u673a\u5236\uff0c\u9ad8\u8d28\u91cf\u5047\u8bbe\u901a\u5e38\u6392\u540d\u66f4\u9ad8\u3002<\/section>\n
\u4e0e\u771f\u5b9e\u8bba\u6587\u4e2d\u4f7f\u7528\u7684\u542f\u53d1\u6570\u91cf\u76f8\u5173\u6027\u8f83\u5f3a\uff0c\u5373\uff1a<\/section>\n

\u542f\u53d1\u5339\u914d\u8d8a\u591a\uff0c\u6392\u540d\u8d8a\u9ad8<\/p>\n

\u5339\u914d\u8bc4\u5206\u8d8a\u9ad8\uff0c\u6392\u540d\u8d8a\u9ad8<\/p>\n

\u8bf4\u660e LLM \u5728\u4e00\u5b9a\u7a0b\u5ea6\u4e0a\u80fd\u591f\u7b5b\u9009\u51fa\u66f4\u6709\u4ef7\u503c\u7684\u5047\u8bbe\u3002<\/section>\n

\u6700\u7ec8\u53d1\u73b0<\/strong><\/p>\n

1\u3001MOOSE-Chem \u751f\u6210\u7684\u5047\u8bbe\u53ef\u4ee5\u5728\u4e0d\u8bbf\u95ee\u771f\u5b9e\u5047\u8bbe\u7684\u60c5\u51b5\u4e0b\uff0c\u8986\u76d6\u8bba\u6587\u7684\u6838\u5fc3\u521b\u65b0\u70b9\u3002<\/strong><\/p>\n

\u572851\u7bc7\u8bba\u6587\u7684\u8bc4\u6d4b\u4e2d\uff0c\u8fd1 40% \u7684\u5b9e\u9a8c\u751f\u6210\u5047\u8bbe\u4e0e\u771f\u5b9e\u5047\u8bbe\u9ad8\u5ea6\u76f8\u4f3c\u3002<\/p>\n

\u4e13\u5bb6\u8bc4\u4f30\u663e\u793a\uff0c\u5728\u6a21\u62df\u73b0\u5b9e\u79d1\u5b66\u7814\u7a76\u73af\u5883\uff08300 \u7bc7\u8bba\u6587\u5e93\uff09\u4e0b\uff0cMOOSE-Chem \u4ecd\u80fd\u751f\u6210\u63a5\u8fd1\u771f\u5b9e\u8bba\u6587\u7684\u5047\u8bbe\u3002<\/p>\n

2\u3001\u591a\u6b65\u542f\u53d1\u548c\u53d8\u5f02\/\u91cd\u7ec4\u7b56\u7565\u6709\u6548\u63d0\u5347\u4e86\u5047\u8bbe\u8d28\u91cf\u3002<\/strong><\/p>\n

\u76f8\u6bd4\u73b0\u6709\u65b9\u6cd5\uff08\u5982SciMON, MOOSE\uff09\uff0cMOOSE-Chem \u5728\u6700\u9ad8\u5339\u914d\u8bc4\u5206\uff08Top MS\uff09\u548c\u5e73\u5747\u5339\u914d\u8bc4\u5206\uff08Average MS\uff09\u4e0a\u5747\u6709\u663e\u8457\u63d0\u5347\uff1a<\/section>\n
MOOSE-Chem\uff1aTop MS = 4.02, Avg MS = 2.56<\/section>\n
MOOSE: Top MS = 2.88, Avg MS = 2.46<\/section>\n
SciMON\uff08NLP\/Biochemical \u9886\u57df\uff09\uff1aTop MS = 2.55, Avg MS = 2.28<\/section>\n
\u8bf4\u660e\u8fdb\u5316\u7b97\u6cd5\uff08mutation & recombination\uff09\u80fd\u591f\u63d0\u5347\u5047\u8bbe\u7684\u521b\u9020\u6027\u548c\u5408\u7406\u6027\u3002<\/section>\n

3\u3001\u5728\u5b9e\u9645\u5e94\u7528\u4e2d\uff0cMOOSE-Chem \u53ef\u4f5c\u4e3a\u79d1\u7814\u52a9\u7406\u534f\u52a9\u7814\u7a76\u4eba\u5458\u63d0\u51fa\u9ad8\u8d28\u91cf\u5047\u8bbe\u3002<\/strong><\/p>\n

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