{"id":7449,"date":"2018-06-12T01:00:00","date_gmt":"2018-07-27T09:23:50","guid":{"rendered":"http:\/\/www.05921.net\/index.php\/2018\/07\/27\/%e5%9f%b9%e5%85%bb%e5%9f%ba%e5%92%8c%e8%a1%a5%e6%96%99%e4%b8%ad%e7%94%9f%e7%89%a9%e6%b7%bb%e5%8a%a0%e7%89%a9%e7%9a%84%e5%a4%9a%e5%85%83%e5%88%86%e6%9e%90\/"},"modified":"2018-07-27T17:23:54","modified_gmt":"2018-07-27T09:23:54","slug":"%e5%9f%b9%e5%85%bb%e5%9f%ba%e5%92%8c%e8%a1%a5%e6%96%99%e4%b8%ad%e7%94%9f%e7%89%a9%e6%b7%bb%e5%8a%a0%e7%89%a9%e7%9a%84%e5%a4%9a%e5%85%83%e5%88%86%e6%9e%90","status":"publish","type":"post","link":"https:\/\/www.05921.net\/index.php\/7449\/","title":{"rendered":"\u57f9\u517b\u57fa\u548c\u8865\u6599\u4e2d\u751f\u7269\u6dfb\u52a0\u7269\u7684\u591a\u5143\u5206\u6790"},"content":{"rendered":"
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\u751f\u7269\u836f\u5de5\u4e1a\u5316\u751f\u4ea7\u4e2d<\/span>\uff0c<\/span>\u751f\u957f\u57f9\u517b\u57fa\u914d\u65b9\u4e2d\u901a\u5e38\u542b\u9175\u6bcd\u63d0\u53d6\u7269\u548c\u86cb\u767d\u80e8\u7b49\u6dfb\u52a0\u7269<\/span>\u3002<\/span><\/span>\u5c3d\u7ba1\u653f\u7b56\u9f13\u52b1\u516c\u53f8\u4f7f\u7528\u5316\u5b66\u9650\u5b9a\u6027\u57f9\u517b\u57fa\u4ee5\u51cf\u5c11\u54fa\u4e73\u52a8\u7269\u7ec6\u80de\u57f9\u517b\u5de5\u827a\u4e2d\u7684\u53d8\u91cf<\/span>\uff0c<\/span>\u8bb8\u591a\u5fae\u751f\u7269\u548c\u54fa\u4e73\u52a8\u7269\u7ec6\u80de\u57f9\u517b\u5de5\u827a\u4e2d\u4ecd\u7ee7\u7eed\u4f7f\u7528\u751f\u7269\u6dfb\u52a0\u7269\u4f5c\u4e3a\u5176\u751f\u957f\u57f9\u517b\u57fa\u914d\u65b9\u6216\u8865\u6599<\/span>\u3002<\/span>\u636e<\/span>Sheff ield Bioscience (Kerry, Inc.)<\/span>\u62a5\u9053<\/span>\uff0c<\/span>\u5df2\u83b7\u6279\u7684\u54fa\u4e73\u52a8\u7269\u7ec6\u80de<\/span>\u2013<\/span>\u884d\u751f\u7684\u751f\u7269\u6cbb\u7597\u4ea7\u54c1\u4e2d\u81f3\u5c11\u6709\u516d\u6210\u5728\u751f\u4ea7\u4e2d\u4f7f\u7528\u4e86\u751f\u7269\u6dfb\u52a0\u7269<\/span>\u3002<\/span><\/span><\/p>\n

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\"\u57f9\u517b\u57fa\u548c\u8865\u6599\u4e2d\u751f\u7269\u6dfb\u52a0\u7269\u7684\u591a\u5143\u5206\u6790\"<\/p>\n

\u6280\u5de7\u5305\u62ec\u57fa\u4e8e\u7edf\u8ba1\u7684\u5de5\u827a\u5efa\u6a21<\/span>\u3001<\/span>\u4f20\u611f\u5668\u6821\u51c6\u548c\u5de5\u827a\u53ef\u6bd4\u6027<\/span>\u3002<\/span><\/span><\/p>\n

\u591a\u53d8\u91cf\u5206\u6790<\/span>\uff08MVA\uff09<\/span>\u6280\u672f\u672c\u8d28\u4e0a\u662f\u4e00\u79cd\u7edf\u8ba1\u56de\u5f52\u6280\u672f<\/span>\uff0c<\/span>\u8bd5\u56fe\u901a\u8fc7\u6355\u6349\u65b0\u7684\u6b63\u4ea4\u53d8\u91cf\u6216\u79f0\u4e3a\u4e3b\u6210\u5206<\/span>\uff08PCS\uff09<\/span>\u7684\u53ef\u53d8\u6027\u6765\u5bf9\u5b9e\u9645\u53d8\u91cf\u7684\u53ef\u53d8\u6027\u4f5c\u51fa\u89e3\u91ca<\/span>\u3002<\/span>\u76f8\u5173\u5b9e\u9645\u53d8\u91cf\u4e4b\u95f4\u7684\u76f8\u5173\u6027\u5141\u8bb8\u4f7f\u7528\u6570\u91cf\u8f83\u5c11\u7684\u4e3b\u6210\u5206\u6765\u6355\u6349\u5efa\u6a21\u548c\u4f5c\u51fa\u9884\u8ba1<\/span>\uff0c<\/span>\u4ece\u800c\u5bf9\u66f4\u5927\u91cf\u7684\u6570\u636e\u96c6\u7684\u539f\u59cb\u4fe1\u606f\u4f5c\u51fa\u5206\u6790<\/span>\u3002<\/span><\/span><\/p>\n

\u8fd9\u91cc<\/span>\uff0c<\/span>\u4e3b\u6210\u5206\u5206\u6790\u6cd5<\/span>\uff08PCA\uff09<\/span>\u7528\u4e8e\u5bf9\u6765\u81ea\u516d\u5341\u4e94\u79cd\u65e0\u52a8\u7269\u6210\u5206<\/span>\uff08ACF\uff09<\/span>\u751f\u7269\u6dfb\u52a0\u7269\u7684\u7ec4\u5408\u6570\u636e\u53d8\u5316<\/span>\uff0c<\/span>\u8fdb\u884c\u6570\u636e\u6355\u83b7\u548c\u5efa\u6a21<\/span>\u3002<\/span>\u7531\u6b64\u4ea7\u751f\u7684\u6a21\u578b\u7528\u4e8e\u7814\u7a76\u4e24\u79cd\u751f\u7269\u6dfb\u52a0\u7269\u7684\u6279\u95f4\u53d8\u5316<\/span>\uff0c<\/span>\u5e76\u5bf9\u5e02\u573a\u4e0a\u7684\u65b0\u4ea7\u54c1\u8fdb\u884c\u8bc4\u4f30<\/span>\u3002<\/span>\u672c\u6587\u5c55\u793a\u5b9a\u91cf\u7ed3\u6784<\/span>–<\/span>\u6d3b\u6027\u5173\u7cfb<\/span>\uff08QSAR\uff09<\/span>\u65b9\u6cd5\u6765\u7814\u7a76\u7ec4\u5206\u4e0e\u57f9\u517b\u8868\u73b0\u548c\u4ea7\u54c1\u86cb\u767d\u542b\u91cf\u4e4b\u95f4\u7684\u5173\u7cfb<\/span>\u3002<\/span><\/span> <\/span><\/p>\n

\"\u57f9\u517b\u57fa\u548c\u8865\u6599\u4e2d\u751f\u7269\u6dfb\u52a0\u7269\u7684\u591a\u5143\u5206\u6790\"<\/p>\n

\u8fd9\u91cc\u63a8\u8350\u5b9a\u91cf\u7ed3\u6784<\/span>–<\/span>\u6d3b\u6027\u5173\u7cfb<\/span>\uff08QSAR\uff09<\/span>\u4e3a\u57fa\u7840\u7684\u65b9\u6cd5<\/span>\uff0c<\/span>\u4f7f\u7528\u4e3b\u6210\u5206\u7a7a\u95f4\u7684\u56e0\u5b50\u8bbe\u8ba1\u6765\u8bc4\u4ef7\u6dfb\u52a0\u5242\u7ec4\u6210\u548c\u7ec6\u80de\u57f9\u517b\u8868\u73b0\u4e4b\u95f4\u7684\u8054\u7cfb<\/span>\u3002<\/span>\u7531\u751f\u7269\u6dfb\u52a0\u7269\u884d\u751f\u7684\u4e3b\u6210\u5206\u5206\u6790\u6cd5<\/span>\uff08PCA\uff09<\/span>\u5206\u6570\u548c\u7531\u5b9a\u91cf\u7ed3\u6784<\/span>–<\/span>\u6d3b\u6027\u5173\u7cfb<\/span>\uff08QSAR\uff09<\/span>\u65b9\u6cd5\u9009\u62e9\u51fa\u6765\u7684\u751f\u7269\u6dfb\u52a0\u7269\u7684\u7ec6\u80de\u57f9\u517b\u7269\u7684\u6a21\u62df\u6027\u80fd\u6570\u636e\u7ec4\u6210\u7684\u8bad\u7ec3\u96c6<\/span>\uff0c<\/span>\u88ab\u7528\u6765\u521b\u5efa\u504f\u6700\u5c0f\u4e8c\u4e58<\/span>\uff08PLS\uff09<\/span>\u6a21\u578b<\/span>\u3002<\/span>\u7136\u540e<\/span>PLS<\/span>\u6a21\u578b\u53ef\u4ee5\u7528\u4e8e\u9884\u6d4b\u4e0d\u5c5e\u4e8e\u8bad\u7ec3\u7ec4\u7684\u751f\u7269\u6dfb\u52a0\u7269\u7684\u6027\u80fd<\/span>\u3002<\/span><\/span><\/p>\n

\"\u57f9\u517b\u57fa\u548c\u8865\u6599\u4e2d\u751f\u7269\u6dfb\u52a0\u7269\u7684\u591a\u5143\u5206\u6790\"<\/p>\n

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\u6750\u6599\u4e0e\u65b9\u6cd5<\/span><\/section>\n<\/section>\n

\u6570\u636e\u6e90\u548c\u6570\u636e\u6c47\u7f16<\/span><\/p>\n

145<\/span>\u4e2a\u751f\u7269\u6dfb\u52a0\u7269\u7684\u5316\u5b66\u6210\u5206\u6570\u636e<\/span>\uff0c<\/span>\u53ef\u4ece\u516c\u5f00\u6765\u6e90\u83b7\u5f97<\/span>\uff0c<\/span>\u7531<\/span>OxoD\uff0cBecton Dickinson<\/span>\u548c<\/span>Sheff ield Bioscience<\/span>\u516c\u5e03<\/span>\u3002<\/span><\/span><\/p>\n

\u8fd9\u4e9b\u6570\u636e\u4ee3\u8868\u4e86\u6bcf\u79cd\u751f\u7269\u6dfb\u52a0\u7269\u7684\u5178\u578b\u7ec4\u6210<\/span>\uff0c<\/span>\u5e76\u4e14\u53ef\u4ee5\u88ab\u8ba4\u4e3a\u662f\u4ece\u8bb8\u591a\u751f\u4ea7\u6279\u6b21<\/span>\u3001<\/span>\u5b50\u6837\u672c\u6216\u5206\u6790\u4e2d\u5f97\u51fa\u7684\u5e73\u5747\u503c<\/span>\u3002<\/span>\u6bcf\u4e2a\u751f\u7269\u6dfb\u52a0\u7269\u7684\u5316\u5b66\u7ec4\u6210\u5728\u7535\u5b50\u8868\u683c\u4e2d\u88ab\u7f16\u8f91\u5e76\u6ce8\u91ca\u4ee5\u65b9\u4fbf\u540e\u7eed\u7684\u5206\u6790<\/span>\u3002<\/span>\u6ce8\u91ca\u91cc\u5305\u542b\u4f9b\u5e94\u5546<\/span>\u3001<\/span>\u539f\u6750\u6599\u6765\u6e90<\/span>\u3001<\/span>\u4ea7\u54c1\u7c7b\u578b<\/span>\u3001<\/span>\u6d88\u5316\u6cd5\u548c<\/span>ACF<\/span>\u72b6\u6001<\/span>\uff08<\/span>\u8868<\/span>1\uff09\u3002<\/span>\u5728\u4f9b\u5e94\u5546\u4e4b\u95f4\u7684\u6d4b\u91cf\u5355\u5143\u4e0d\u540c\u7684\u60c5\u51b5\u4e0b<\/span>\uff0c<\/span>\u8fd9\u4e9b\u6d4b\u91cf\u5355\u5143\u88ab\u6807\u51c6\u5316<\/span>\uff0c<\/span>\u4f7f\u5f97\u6570\u636e\u96c6\u5177\u6709\u53ef\u6bd4\u6027<\/span>\u3002<\/span>\u9009\u62e9<\/span>65<\/span>\u4e2a\u65e0\u52a8\u7269\u6210\u5206<\/span>\uff08ACF\uff09<\/span>\u751f\u7269\u6dfb\u52a0\u7269\u7ec4\u6210\u7684\u8bad\u7ec3\u6570\u636e\u96c6<\/span>\uff0c<\/span>\u6bcf\u4e2a\u6570\u636e\u96c6\u6709<\/span>59<\/span>\u4e2a\u53d8\u91cf\u6765\u63cf\u8ff0\u6bcf\u79cd\u751f\u7269\u6dfb\u52a0\u7269\u7684\u7269\u7406\u5316\u5b66\u6570\u636e<\/span>\u3001<\/span>\u5206\u5b50\u91cf\u5206\u5e03\u548c\u81ea\u7531\u6c28\u57fa\u9178\u603b\u91cf<\/span>\u3002<\/span>\u8868<\/span>2<\/span>\u5217\u51fa\u4e86\u8fd9\u91cc\u4f7f\u7528\u7684\u53d8\u91cf<\/span>\u3002<\/span><\/span> <\/span><\/p>\n

\n
\u5206\u6790\u65b9\u6cd5<\/span><\/section>\n<\/section>\n

\u4f7f\u7528<\/span>SIMCA P 11.5\uff08MKS UMeMeX\uff0c<\/span>\u745e\u5178<\/span>\uff09<\/span>\u7528\u4e8e\u9519\u8bef\u7b5b\u9009<\/span>\u3001PCA<\/span>\u548c<\/span>PLS<\/span>\u5206\u6790<\/span>\u3002<\/span>\u4ece\u7f16\u8bd1\u6570\u636e\u96c6\u4e2d\u9009\u62e9<\/span>ACF<\/span>\u751f\u7269\u6dfb\u52a0\u7269\u4ee5\u6784\u5efa<\/span>PCA<\/span>\u6a21\u578b<\/span>\u300280%<\/span>\u4ee5\u4e0a\u7684\u4ea7\u54c1\u7684\u53d8\u91cf\u53ef\u7528\u4e8e\u5206\u6790<\/span>\u3002<\/span>\u5728\u5206\u6790\u524d\u7528\u4e2d\u95f4\u5b9a\u5fc3\u548c\u5355\u53d8\u91cf\u5b9a\u6807\u5bf9\u6240\u6709\u53d8\u91cf\u8fdb\u884c\u9884\u5904\u7406<\/span>\u3002<\/span><\/span><\/p>\n

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\u7ed3\u679c<\/span><\/section>\n<\/section>\n
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\n
1<\/span><\/section>\n
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<\/span><\/p>\n

\u751f\u7269\u6dfb\u52a0\u7269<\/span>\uff1a<\/span><\/span><\/span>\u603b\u8ba1<\/span>59<\/span>\u4e2a\u53d8\u91cf\u88ab\u7528\u6765\u63cf\u8ff0\u6bcf\u79cd\u65e0\u52a8\u7269\u6210\u5206<\/span>\uff08ACF\uff09<\/span>\u751f\u7269\u6dfb\u52a0\u7269<\/span>\uff08<\/span>\u5171\u8ba1<\/span>65<\/span>\u79cd<\/span>\uff09\uff0c<\/span>\u4ee5\u5efa\u7acb\u4e3b\u6210\u5206\u5206\u6790\u6a21\u578b<\/span>\u3002<\/span>\u7ed3\u679c\u6a21\u578b\u6355\u83b7\u4e86<\/span>67%<\/span>\u7684\u6570\u636e\u96c6\u53d8\u52a8<\/span>\uff0c<\/span>\u6765\u81ea\u4e8e\u56db\u4e2a<\/span><\/span>PCs<\/span>\u3002<\/span>\u56fe<\/span>1<\/span>\u663e\u793a\u4e86<\/span><\/span>PCs<\/span> 1, 2<\/span>\u548c<\/span>3<\/span>\u7684\u5206\u6570\u66f2\u7ebf<\/span>\u3002<\/span>\u8fd9\u4e9b\u56fe\u663e\u793a\u4e86\u6dfb\u52a0\u5242\u7ec4\u5206\u4e4b\u95f4\u7684\u5173\u8054<\/span>\u3002<\/span>\u5728\u5de6\u4fa7<\/span>\uff0c<\/span>\u9175\u6bcd\u63d0\u53d6\u7269\u503e\u5411\u4e8e\u4e0e<\/span>ACF<\/span>\u5171\u6df7\u7269\u6cbf\u7740<\/span>PC1\uff08X\uff09<\/span>\u8f74\u5206\u79bb<\/span>\uff0c<\/span>\u800c<\/span>ACF<\/span>\u5171\u6df7\u7269\u548c\u5927\u8c46\u86cb\u767d\u80e8\u503e\u5411\u4e8e\u6cbf\u7740<\/span>PC2\uff08Y\uff09<\/span>\u8f74\u5206\u79bb<\/span>\u3002<\/span>\u5728\u53f3\u4fa7<\/span>\uff0c<\/span>\u5927\u8c46\u86cb\u767d\u80e8\u548c<\/span>ACF<\/span>\u5171\u6df7\u7269\u503e\u5411\u4e8e\u6cbf\u7740<\/span>PC3\uff08Y\uff09<\/span>\u8f74\u5206\u79bb<\/span>\u3002<\/span><\/span><\/span><\/p>\n

\"\u57f9\u517b\u57fa\u548c\u8865\u6599\u4e2d\u751f\u7269\u6dfb\u52a0\u7269\u7684\u591a\u5143\u5206\u6790\"<\/p>\n

\u56fe<\/span>2<\/span>\u663e\u793a\u4e86<\/span>PC1\/PC2\uff08<\/span>\u5de6<\/span>\uff09<\/span>\u548c<\/span>PC2\/PC3\uff08<\/span>\u53f3<\/span>\uff09<\/span>\u7684\u52a0\u8f7d\u56fe<\/span>\uff0c<\/span>\u603b\u7ed3\u4e86<\/span>PC1<\/span>\u548c<\/span>PC3<\/span>\u4e4b\u95f4\u539f\u59cb\u7ec4\u6210\u53d8\u91cf\u7684\u5173\u7cfb<\/span>\u3002<\/span>\u53ef\u53d8\u6807\u8bb0\u6839\u636e\u53ef\u53d8\u7c7b\u578b\u7740\u8272<\/span>\uff1a<\/span>\u751f\u7406\u5316\u5b66<\/span>\uff08CHE\uff09\uff1b<\/span>\u6e38\u79bb\u6c28\u57fa\u9178<\/span>\uff08FAA\uff09\uff1b<\/span>\u5206\u5b50\u5927\u5c0f\u5206\u5e03<\/span>\uff08SIZ\uff09\uff1b<\/span>\u548c\u603b\u6c28\u57fa\u9178<\/span>\uff08TAA\uff09\u3002PC1<\/span>\u4e0e\u4e2a\u522b\u548c\u603b\u7684\u6e38\u79bb\u6c28\u57fa\u9178<\/span>\uff08FAA\uff09<\/span>\u5448\u6b63\u76f8\u5173<\/span>\uff0c<\/span>\u4e0e\u6c28\u57fa\u6c2e\u767e\u5206\u6bd4<\/span>\uff08%AN\uff09<\/span>\u5448\u6b63\u76f8\u5173<\/span>\u3002<\/span>\u4e2d<\/span>\u3001<\/span>\u9ad8<\/span><\/span>MW<\/span>\u5206\u5e03\u4e0e<\/span>PC1<\/span>\u5448\u8d1f\u76f8\u5173<\/span>\u3002<\/span>\u6b63\u5982\u9884\u671f\u7684\u90a3\u6837<\/span>\uff0c<\/span>\u66f4\u9ad8\u7684\u6c34\u89e3\u5ea6<\/span><\/span>(AN\/TN<\/span>)<\/span>\u662f\u4e0e\u589e\u52a0\u7684\u4f4e\u8303\u56f4<\/span>MW<\/span>\u79cd\u7c7b\u548c\u8f83\u9ad8\u7684\u6e38\u79bb\u6c28\u57fa\u9178<\/span>\uff08FAA\uff09<\/span>\u542b\u91cf\u76f8\u5173<\/span>\u3002<\/span>\u5982\u56fe<\/span>1<\/span>\u7684\u5de6\u4fa7\u9762\u677f\u6240\u793a<\/span>\uff0c<\/span>\u9175\u6bcd\u63d0\u53d6\u7269\u503e\u5411\u4e8e\u6cbf<\/span>PC1<\/span>\u4e0e<\/span>ACF<\/span>\u5171\u6df7\u7269\u5206\u79bb<\/span>\uff0c<\/span>\u8868\u660e\u9175\u6bcd\u63d0\u53d6\u7269\u662f\u4e0e\u8f83\u9ad8\u6c28\u57fa\u6c2e\u767e\u5206\u6bd4<\/span>\uff08%AN\uff09<\/span>\u548c\u6e38\u79bb\u6c28\u57fa\u9178<\/span>\uff08FAA\uff09<\/span>\u76f8\u5173<\/span>\uff0c<\/span>\u5177\u6709\u8f83\u4f4e\u8303\u56f4\u7684<\/span>MW<\/span>\u79cd\u7c7b<\/span>\u3002PC2<\/span>\u4e0e\u603b\u6c28\u57fa\u9178<\/span>\uff08TAA\uff09<\/span>\u5448\u6b63\u76f8\u5173<\/span>\uff0cPC3<\/span>\u4e0e\u4e2d\u8303\u56f4<\/span>MW<\/span>\u79cd\u7c7b\u589e\u52a0\u76f8\u5173<\/span>\uff0c<\/span>\u4e0e\u4f4e\u8303\u56f4<\/span>MW<\/span>\u79cd\u7c7b\u5448\u8d1f\u76f8\u5173<\/span>\u3002ACF<\/span>\u5171\u6df7\u7269\u548c\u5927\u8c46\u86cb\u767d\u80e8\u662f\u6cbf\u7740<\/span>PC2<\/span>\u5206\u5e03<\/span>\uff0c<\/span>\u8868\u660e\u53d8\u5316\u7684\u4e3b\u8981\u539f\u56e0\u662f\u7531\u4e8e\u603b\u6c28\u57fa\u9178<\/span>\uff08TAA\uff09<\/span>\u542b\u91cf\u7684\u53d8\u5316<\/span>\u3002<\/span>\u5927\u8c46\u86cb\u767d\u4e0e<\/span>ACF<\/span>\u5171\u6df7\u7269\u6cbf<\/span>PC3<\/span>\u5206\u79bb<\/span>\uff0c<\/span>\u8868\u660e\u90a3\u4e9b\u86cb\u767d\u80e8\u80bd\u4e0e\u4e2d\u8303\u56f4<\/span>MW<\/span>\u79cd\u7c7b\u7684\u589e\u52a0\u76f8\u5173<\/span>\u3002<\/span><\/span><\/span><\/p>\n

\n
\n
2<\/span><\/section>\n
ACF\u751f\u7269\u6dfb\u52a0\u7269\u6279\u91cf\u5dee\u5f02\u7684PCA\u5206\u6790<\/span><\/section>\n<\/section>\n<\/section>\n

\u4f9b\u5e94\u5546\u7f51\u7ad9\u63d0\u4f9b\u7684\u6765\u81ea<\/span>HyPep1510<\/span>\u5927\u8c46\u86cb\u767d\u80e8\u548c<\/span>SHIFCHO PF ACF<\/span>\u5171\u6df7\u7269\u7ec4\u5206\u7684\u591a\u6279\u6b21\u6570\u636e<\/span>\u3002<\/span>\u8fd9\u4e9b\u6570\u636e\u88ab\u7f16\u8bd1\u6210\u5982\u4e0a\u6240\u8ff0\u7684<\/span>PCA<\/span>\u6a21\u578b<\/span>\u3002HyPep1510<\/span>\u548c<\/span>SHIFCHO PF ACF<\/span>\u5171\u6df7\u7269\u7684\u6279\u95f4\u6bd4\u8f83\u6570\u636e\u88ab\u7528\u4f5c\u9884\u6d4b\u96c6<\/span>\uff0c<\/span>\u4ee5\u6bd4\u8f83\u5728<\/span>PCA<\/span>\u6a21\u578b\u4e2d\u6355\u83b7\u7684\u5178\u578b\u53c2\u8003\u6570\u636e<\/span>\u3002<\/span>\u56fe<\/span>3<\/span>\u6bd4\u8f83\u6bcf\u4e00\u4e2a\u5177\u6709\u5178\u578b\u4ea7\u54c1<\/span>—<\/span>\u53c2\u8003\u6570\u636e<\/span>\uff08<\/span>\u7ea2\u8272\u5706\u5708<\/span>\uff09<\/span>\u7684\u4ea7\u54c1\u6279\u6b21\u7684\u9884\u6d4b\u5f97\u5206<\/span>\u3002<\/span>\u56e0\u4e3a\u9884\u6d4b\u5f97\u5206\u5728<\/span>PCA<\/span>\u6a21\u578b\u7684<\/span>t-<\/span>\u6d4b\u8bd5\u5706\u5f62\u8303\u56f4\u5185<\/span>\uff0c<\/span>\u4ea7\u54c1\u6279\u6b21\u5185\u7684\u53ef\u53d8\u6027\u88ab\u5f88\u597d\u5730\u5efa\u6a21<\/span>\u3002<\/span>\u5c3d\u7ba1\u6240\u6709\u6279\u6b21\u90fd\u662f\u5728\u6307\u5b9a\u8303\u56f4\u5185\u5236\u9020\u7684<\/span>\uff0c<\/span>\u4f46\u5927\u91cf\u7684\u6279\u95f4\u53d8\u5316\u662f\u6e05\u6670\u53ef\u89c1\u7684<\/span>\u3002<\/span><\/span> <\/span><\/p>\n

\"\u57f9\u517b\u57fa\u548c\u8865\u6599\u4e2d\u751f\u7269\u6dfb\u52a0\u7269\u7684\u591a\u5143\u5206\u6790\"<\/p>\n

\u5728\u56fe<\/span>3<\/span>\u4e2d<\/span>\uff0cSHIFCHO PF<\/span>\u6279\u6b21\u88ab\u5b89\u6392\u5728\u4e00\u4e2a\u4e0d\u540c\u7684\u7ec4\u4e2d<\/span>\uff0c<\/span>\u5728\u5178\u578b\u7684\u53c2\u8003\u6570\u636e<\/span>\uff08<\/span>\u5012\u7f6e\u4e09\u89d2\u5f62<\/span>\uff09<\/span>\u4e0b\u9762<\/span>\u3002NVA #1165<\/span>\u6279\u6b21\u4f4d\u4e8e\u8fdc\u79bb\u4e3b\u7ec4\u7684\u4f4d\u7f6e\u548c\u5178\u578b\u7684\u53c2\u8003\u6570\u636e\u4f5c\u4e3a\u6570\u636e\u7f3a\u5931\u7684\u7ed3\u679c<\/span>\u3002<\/span>\u5269\u4f59\u7684\u6279\u6b21\u6cbf\u7740<\/span>PC2\uff08y\uff09<\/span>\u8f74\u5206\u5e03<\/span>\uff0c<\/span>\u8868\u660e\u603b\u6c28\u57fa\u9178<\/span>\uff08TAA\uff09<\/span>\u542b\u91cf\u7684\u4e00\u4e9b\u53d8\u5316<\/span>\u3002<\/span>\u56fe<\/span>4<\/span>\u5de6\u4fa7\u9762\u677f\u663e\u793a\u4e86\u7ec4\u5408\u6279<\/span>\uff08NVA #1165<\/span>\u9664\u5916<\/span>\uff09<\/span>\u4e0e\u5178\u578b\u53c2\u8003\u6570\u636e\u6279\u4e4b\u95f4\u7684\u5dee\u5f02<\/span>\uff0c\u3002<\/span>\u4e0d\u540c\u7684<\/span>SHIFCHO PF<\/span>\u6279\u6b21\u7684\u5e73\u5747\u603b\u6c28\u57fa\u9178<\/span>\uff08TAA\uff09<\/span>\u542b\u91cf\u6bd4\u5178\u578b\u7684\u53c2\u8003\u6570\u636e\u663e\u793a\u7684\u603b\u6c28\u57fa\u9178<\/span>\uff08TAA\uff09<\/span>\u542b\u91cf\u8981\u4f4e<\/span>\u3002<\/span>\u7279\u522b\u5730<\/span>\uff0cSheffCHO PF<\/span>\u6279\u6b21\u901a\u5e38\u5177\u6709\u8f83\u4f4e\u7684\u603b\u8c37\u6c28\u9178<\/span>\u3001<\/span>\u4e1d\u6c28\u9178\u548c\u7f2c\u6c28\u9178<\/span>\uff0c<\/span>\u6bd4\u5178\u578b\u53c2\u8003\u6570\u636e\u62a5\u9053\u4e2d\u7684\u603b\u534a\u80f1\u6c28\u9178\u542b\u91cf\u66f4\u9ad8<\/span>\u3002<\/span><\/span><\/p>\n

\"\u57f9\u517b\u57fa\u548c\u8865\u6599\u4e2d\u751f\u7269\u6dfb\u52a0\u7269\u7684\u591a\u5143\u5206\u6790\"<\/p>\n

\u56fe<\/span>4<\/span>\u7684\u53f3\u4fa7\u663e\u793a<\/span>\uff0c<\/span>\u4e0e\u5178\u578b\u53c2\u8003\u6570\u636e\u76f8\u6bd4<\/span>\uff0c<\/span>\u534a\u80f1\u6c28\u9178\u542b\u91cf\u5728\u6240\u6709\u6279\u6b21\u4e2d\u7684\u542b\u91cf\u90fd\u8981\u5927\u4e94\u500d\u591a<\/span>\u3002<\/span>\u4ece\u56fe<\/span>4<\/span>\u7684\u5de6\u4fa7\u4e5f\u53ef\u4ee5\u6e05\u695a\u5730\u770b\u51fa<\/span>\uff0c<\/span>\u867d\u7136\u5178\u578b\u53c2\u8003\u6570\u636e\u548c\u6279\u6b21\u4e4b\u95f4\u7684\u5dee\u5f02\u662f\u6e05\u695a\u7684<\/span>\uff0c<\/span>\u4f46\u603b\u7684\u6e38\u79bb\u6c28\u57fa\u9178<\/span>\uff08FAA\uff09<\/span>\u4e0d\u53d8<\/span>\u3002<\/span><\/span><\/p>\n

\u56fe<\/span>3<\/span>\u4e2d<\/span>\uff0cHyPep1510<\/span>\u6279\u88ab\u5b9a\u4f4d\u5728\u4e00\u4e2a\u5355\u4e00\u7684\u7ec4\u4e2d<\/span>\uff0c<\/span>\u5176\u4e2d\u5305\u62ec\u5178\u578b\u7684\u53c2\u8003\u6570\u636e<\/span>\u3002<\/span>\u8be5\u7ec4\u6cbf<\/span>PC1\uff08X\uff09<\/span>\u8f74\u5206\u5e03<\/span>\uff0c<\/span>\u8868\u660e\u6e38\u79bb\u6c28\u57fa\u9178<\/span>\uff08FAA\uff09<\/span>\u6709\u4e00\u5b9a\u7684\u53ef\u53d8\u6027<\/span>\u3002<\/span><\/span>\u8d21\u732e\u56fe<\/span>\u7684\u7814\u7a76\u6bd4\u8f83\u4e86\u5178\u578b\u53c2\u8003\u6570\u636e\u4e0e<\/span>HyPep1510<\/span>\u6279\u6b21\u7684\u5e73\u5747\u503c\u4e4b\u95f4\u7684\u5dee\u5f02<\/span>\uff08<\/span>\u56fe<\/span>5\uff09\u3002<\/span><\/span> <\/span><\/p>\n

\"\u57f9\u517b\u57fa\u548c\u8865\u6599\u4e2d\u751f\u7269\u6dfb\u52a0\u7269\u7684\u591a\u5143\u5206\u6790\"<\/p>\n

\u5728\u56fe<\/span>5<\/span>\u7684\u5de6\u9762\u677f\u4e2d\u7ed8\u5236\u7684\u8d21\u732e\u6743\u91cd\u5728\u6279\u6b21\u548c\u53c2\u8003\u6750\u6599\u4e4b\u95f4\u6ca1\u6709\u663e\u8457\u5dee\u5f02<\/span>\u3002<\/span>\u4e0e\u53c2\u8003\u7269\u8d28\u76f8\u6bd4<\/span>\uff0c<\/span>\u8bb8\u591a\u5355\u4e2a\u6c28\u57fa\u9178\u7684\u5b9e\u9645\u603b\u6c28\u57fa\u9178<\/span>\uff08TAA\uff09<\/span>\u542b\u91cf\u51cf\u5c11<\/span>\u3002<\/span>\u7136\u800c<\/span>\uff0c<\/span>\u5728\u65b0\u7684<\/span>HyPep1510<\/span>\u6279\u6b21\u4e2d<\/span>\uff0c<\/span>\u6e38\u79bb\u916a\u6c28\u9178\u542b\u91cf\u786e\u5b9e\u5347\u9ad8<\/span>\u3002<\/span>\u56fe<\/span>5<\/span>\u7684\u53f3\u4fa7\u663e\u793a<\/span>\uff0c<\/span>\u4e0e\u5178\u578b\u7684\u53c2\u8003\u6570\u636e\u76f8\u6bd4<\/span>\uff0cHyPep1510<\/span>\u6279\u6b21\u4e2d\u6e38\u79bb\u916a\u6c28\u9178\u542b\u91cf\u662f\u53d8\u52a8\u5f88\u5927<\/span>\u3002<\/span>\u5728<\/span>10<\/span>\u4e2a<\/span>HyPep1510<\/span>\u6279\u6b21\u4e2d<\/span>\uff0c<\/span>\u6709\u516d\u4e2a\u6279\u6b21\u663e\u793a\u6e38\u79bb\u916a\u6c28\u9178\u542b\u91cf\u589e\u52a0\u4e86\u4e24\u500d\u591a<\/span>\uff0c<\/span>\u4e0e\u5178\u578b\u53c2\u8003\u6570\u636e\u6279\u76f8\u6bd4<\/span>\u3002<\/span>\u76ee\u524d\u6ca1\u6709\u5173\u4e8e\u4f7f\u7528\u8fd9\u4e9b\u6279\u6b21\u7684\u7ec6\u80de\u57f9\u517b\u589e\u957f\u548c\u4ea7\u7387\u7684\u6570\u636e<\/span>\uff0c<\/span>\u56e0\u6b64<\/span>\uff0c<\/span>\u65e0\u6cd5\u786e\u5b9a\u591a\u6279\u6b21\u751f\u7269\u6dfb\u52a0\u7269\u4e2d\u7684\u53d8\u5316\u662f\u5426\u5177\u6709\u751f\u7269\u5b66\u5f71\u54cd<\/span>\u3002<\/span>\u6279\u95f4\u751f\u7269\u6dfb\u52a0\u7269\u7684\u53d8\u5316<\/span>\uff0c<\/span>\u5bf9\u54fa\u4e73\u52a8\u7269\u7ec6\u80de\u751f\u957f\u548c\u5355\u514b\u9686\u6297\u4f53\u4ea7\u7387\u6709\u5f88\u5927\u5f71\u54cd<\/span>\u3002<\/span>\u5982\u679c\u5bf9\u591a\u79cd\u751f\u7269\u6dfb\u52a0\u7269\u5728\u591a\u6279\u6b21\u4e2d\u7684\u57f9\u517b\u6027\u80fd\u8fdb\u884c\u8bc4\u4ef7<\/span>\uff0c<\/span>\u5c31\u6709\u53ef\u80fd\u9884\u6d4b\u6279\u95f4\u53d8\u5316\u5bf9\u7ec6\u80de\u57f9\u517b\u751f\u957f\u548c\u4ea7\u7387\u7684\u5f71\u54cd<\/span>\u3002<\/span>\u7136\u540e\u53ef\u4ee5\u4f7f\u7528\u4ee5\u4e0b\u8be6\u7ec6\u63cf\u8ff0\u7684<\/span>PLS<\/span>\u5efa\u6a21\u6280\u672f<\/span>\uff0c<\/span>\u5c06\u6210\u5206\u53d8\u5316\u4e0e\u57f9\u517b\u6027\u80fd\u548c<\/span>\/<\/span>\u6216\u4ea7\u54c1\u8d28\u91cf\u5c5e\u6027\u5173\u8054\u8d77\u6765<\/span>\u3002<\/span><\/span><\/p>\n

\"\u57f9\u517b\u57fa\u548c\u8865\u6599\u4e2d\u751f\u7269\u6dfb\u52a0\u7269\u7684\u591a\u5143\u5206\u6790\"<\/p>\n

\n
\n
3<\/span><\/section>\n
\u5546\u4e1a\u5316\u751f\u7269\u6dfb\u52a0\u7269\u7684PCA\u5206\u6790<\/span><\/section>\n<\/section>\n<\/section>\n

\u968f\u7740\u65b0\u4ea7\u54c1\u4e0d\u65ad\u9762\u5e02<\/span>\uff0c<\/span>\u751f\u7269\u6dfb\u52a0\u7269\u7528\u4e8e\u4f9b\u5e94\u7ec6\u80de\u57f9\u517b\u548c\u5fae\u751f\u7269\u53d1\u9175\u5e94\u7528\u7684\u5546\u4e1a\u5e02\u573a\u662f\u6781\u5177\u7ade\u4e89\u529b\u7684<\/span>\u3002<\/span>\u5f53\u4f9b\u5e94\u5546\u63d0\u4f9b\u4e86\u8db3\u591f\u800c\u9002\u5f53\u7684\u7ec4\u6210\u6570\u636e<\/span>\uff0c<\/span>\u8fd9\u6837\u7684\u65b0\u4ea7\u54c1\u53ef\u4ee5\u4f7f\u7528<\/span>PCA<\/span>\u6a21\u578b\u8fdb\u884c\u5feb\u901f\u6bd4\u5bf9<\/span>\u3002<\/span>\u6570\u636e\u5e93\u4e2d<\/span>\uff0c<\/span>\u6709<\/span>Solobia<\/span>\u751f\u4ea7\u7684<\/span>10<\/span>\u79cd\u548c<\/span>Organotechnie <\/span>\u751f\u4ea7\u7684<\/span>13<\/span>\u79cd\u6dfb\u52a0\u5242\u6dfb\u52a0\u5242\u7684\u7ec4\u6210\u6210\u5206\u6570\u636e<\/span>\u3002<\/span>\u5355\u4f4d\u5df2\u6309\u6750\u6599\u548c\u65b9\u6cd5\u4e2d\u7684\u63cf\u8ff0\u6807\u51c6\u5316<\/span>\u3002<\/span>\u65b0\u7684\u6570\u636e\u96c6\u88ab\u5bfc\u5165<\/span>SIMCA\uff0c<\/span>\u4f5c\u4e3a\u9884\u6d4b\u96c6\u4e0e<\/span>PCA<\/span>\u6a21\u578b\u6bd4\u8f83<\/span>\u3002<\/span><\/span><\/p>\n

\u56fe<\/span>6<\/span>\u662f\u5c06\u65b0\u4ea7\u54c1\u7684\u9884\u6d4b\u5f97\u5206\u4e0e\u6570\u636e\u5e93\u4e2d\u6240\u6709<\/span>145<\/span>\u79cd\u4ea7\u54c1\u7684\u9884\u6d4b\u5f97\u5206\u8fdb\u884c\u6bd4\u8f83\u7684<\/span>3D<\/span>\u56fe<\/span>\u3002<\/span>\u8be5\u56fe\u663e\u793a<\/span>\uff0c<\/span>\u5728<\/span>Hotelling T 2<\/span>\u692d\u7403\u533a\u5185\u6355\u83b7\u4e86\u8bb8\u591a\u6dfb\u52a0\u5242<\/span>\uff0c<\/span>\u5305\u62ec\u65b0\u4ea7\u54c1<\/span>\u3002<\/span>\u8bb8\u591a\u4f4d\u4e8e<\/span> Hotelling T 2 <\/span>\u533a\u57df\u5916\u90e8\u7684\u4ea7\u54c1\u662f\u52a8\u7269\u6765\u6e90<\/span>\uff0c<\/span>\u6cbf\u7740<\/span>PC1<\/span>\u548c<\/span>PC2<\/span>\u8f74\u5bfc\u51fa\u548c\u5206\u5e03<\/span>\u3002<\/span><\/span><\/p>\n

\"\u57f9\u517b\u57fa\u548c\u8865\u6599\u4e2d\u751f\u7269\u6dfb\u52a0\u7269\u7684\u591a\u5143\u5206\u6790\"<\/p>\n

Organotechnie<\/span>\u7684\u4ea7\u54c1\u4f4d\u4e8e<\/span> Hotelling T 2 <\/span>\u533a\u57df<\/span>\uff0c<\/span>\u6b63\u5982\u9884\u671f\u7684\u90a3\u6837<\/span>\uff0c<\/span>\u4e3b\u8981\u5305\u542b\u975e\u52a8\u7269\u884d\u751f\u4ea7\u54c1<\/span>\u3002<\/span>\u7136\u800c<\/span>\uff0cSolobia<\/span>\u7684\u4ea7\u54c1<\/span>–<\/span>\u9a6c\u94c3\u85af\u6765\u6e90\u7684\u86cb\u767d\u80e8\u548c\u9ea6\u82bd\u63d0\u53d6\u7269<\/span>–<\/span>\u4f4d\u4e8e<\/span> Hotelling T 2 <\/span>\u533a\u57df\u5916<\/span>\uff0c<\/span>\u8868\u660e\u8fd9\u4e24\u79cd\u6dfb\u52a0\u5242\u4e0e\u5176\u4ed6\u6dfb\u52a0\u5242\u6709\u660e\u663e\u4e0d\u540c<\/span>\u3002<\/span>\u9a6c\u94c3\u85af\u86cb\u767d\u80e8\u4e0e\u6a21\u578b\u5e73\u5747\u503c<\/span>\uff08<\/span>\u4e0d\u5305\u62ec\u5728\u8fd9\u91cc<\/span>\uff09<\/span>\u6bd4\u8f83<\/span>\uff0c<\/span>\u663e\u793a\u9a6c\u94c3\u85af\u86cb\u767d\u80e8\u7684\u8f83\u9ad8\u603b\u534a\u80f1\u6c28\u9178\u548c\u82cf\u6c28\u9178\u7684\u6c34\u5e73<\/span>\u3002<\/span>\u8fd9\u4e9b\u5dee\u5f02\u662f\u5426\u8f6c\u5316\u4e3a\u751f\u7269\u5f71\u54cd\u5c1a\u5f85\u786e\u5b9a<\/span>\u3002<\/span><\/span><\/p>\n

<\/span><\/p>\n

\n
\n
4<\/span><\/section>\n
\u4f7f\u7528\u5b9a\u91cf\u6784\u6548\u5173\u7cfbQSAR\u5c06\u751f\u7269\u6dfb\u52a0\u7269\u6210\u5206\u4e0e\u57f9\u517b\u6027\u80fd\u8054\u7cfb\u8d77\u6765<\/span><\/section>\n<\/section>\n<\/section>\n

\u8bb8\u591a\u6280\u672f\u5df2\u88ab\u7528\u4e8e\u9009\u62e9\u548c\u4f18\u5316\u7ec6\u80de\u57f9\u517b\u548c\u5fae\u751f\u7269\u751f\u957f\u57f9\u517b\u57fa\u7684\u751f\u7269\u6dfb\u52a0\u7269<\/span>\u3002<\/span>\u6709\u4f9b\u5e94\u5546\u62a5\u544a\u4e86\u57fa\u4e8e\u6790\u56e0\u8bbe\u8ba1\u7684\u57f9\u517b\u57fa\u4f18\u5316\u6280\u672f<\/span>\uff0c<\/span>\u5df2\u53d1\u5c55\u4e3a\u5e02\u552e\u5de5\u5177\u5305<\/span>\u3002<\/span>\u672c\u6587\u63a8\u8350\u4e00\u79cd\u66ff\u4ee3\u7684\u591a\u5143\u5efa\u6a21\u65b9\u6cd5<\/span>\uff0c<\/span>\u4f7f\u7528\u5b9a\u91cf\u6784\u6548\u5173\u7cfb<\/span>QSAR<\/span>\u5c06\u751f\u7269\u6dfb\u52a0\u7269\u6210\u5206\u548c\u57f9\u517b\u6027\u80fd\u8054\u7cfb\u8d77\u6765<\/span>\u3002QSAR<\/span>\u5df2\u5e7f\u6cdb\u5e94\u7528\u4e8e\u836f\u7269\u5f00\u53d1\u4e2d<\/span>\uff0c<\/span>\u7528\u4e8e\u7b5b\u9009\u80bd\u7c7b\u836f\u7269<\/span>\u3002<\/span>\u4f46\u636e\u6211\u6240\u77e5<\/span>\uff0c<\/span>\u751f\u957f\u57f9\u517b\u57fa\u7684\u5f00\u53d1\u548c\u4f18\u5316\u662f\u8be5\u6280\u672f\u7684\u4e00\u79cd\u65b0\u5e94\u7528<\/span>\u3002<\/span><\/span><\/p>\n

65 <\/span>\u79cd<\/span>ACF<\/span>\u751f\u7269\u6dfb\u52a0\u7269\u7684\u7ec4\u6210\u53d8\u5316\u9884\u5148\u5df2\u5728<\/span>PCA<\/span>\u6a21\u578b\u4e2d\u6355\u83b7<\/span>\u3002<\/span>\u4e3b\u6210\u5206\u5b9a\u4e49\u4e3a\u6b63\u4ea4<\/span>\uff0c<\/span>\u53ef\u7528\u4e8e\u6790\u56e0\u8bbe\u8ba1\u5b9e\u9a8c<\/span>\uff0c<\/span>\u6bcf\u4e2a\u4e3b\u6210\u5206\u4e3a\u4e00\u4e2a\u8bbe\u8ba1\u56e0\u5b50<\/span>\u3002<\/span>\u8868<\/span>3<\/span>\u5c55\u793a\u5177\u6709\u4e00\u4e2a\u4e2d\u5fc3\u70b9\u7684\u4e24\u7ea7\u4e09\u56e0\u5b50\u8bbe\u8ba1\u7684\u8bbe\u8ba1\u70b9<\/span>\uff0c<\/span>\u5176\u4e2d\u6bcf\u4e2a\u56e0\u7d20\u90fd\u662f\u6765\u81ea\u4e3b\u6210\u5206\u5206\u6790\u6a21\u578b\u7684\u4e3b\u6210\u5206<\/span>\u3002<\/span>\u6bcf\u4e2a\u8bbe\u8ba1\u70b9\u901a\u8fc7\u5339\u914d\u5176\u5728<\/span>PCA<\/span>\u6a21\u578b\u7684\u4e3b\u6210\u5206\u7a7a\u95f4\u4e2d\u7684\u4f4d\u7f6e\u800c\u4e0e\u751f\u7269\u6dfb\u52a0\u7269\u76f8\u5173\u8054<\/span>\u3002<\/span>\u5bf9\u4e8e\u8fd9\u79cd\u8bbe\u8ba1<\/span>\uff0c<\/span>\u4e0d\u53ef\u80fd\u5c06\u4e2d\u5fc3\u70b9\u7cbe\u786e\u5730\u4e0e\u7ed9\u5b9a\u7684\u751f\u7269\u6dfb\u52a0\u7269\u76f8\u5339\u914d<\/span>\u3002<\/span>\u7136\u800c<\/span>\uff0c<\/span>\u5728<\/span>PC3<\/span>\u7684\u4e2d\u5fc3\u70b9\u4e0d\u5339\u914d<\/span>\uff0c<\/span>\u8fd9\u6bd4<\/span>PC1<\/span>\u4e2d\u53d8\u5316\u7684\u5360\u6bd4\u5c11\u5f97\u591a<\/span>\uff0c<\/span>\u6240\u4ee5<\/span>PC1<\/span>\u4e0d\u662f\u5173\u952e\u7684<\/span>\u3002<\/span><\/span><\/p>\n

\"\u57f9\u517b\u57fa\u548c\u8865\u6599\u4e2d\u751f\u7269\u6dfb\u52a0\u7269\u7684\u591a\u5143\u5206\u6790\"<\/p>\n

\u6a21\u62df\u7ec6\u80de\u57f9\u517b\u6027\u80fd\u6570\u636e\u88ab\u7528\u6765\u8bc1\u660e<\/span>QSAR<\/span>\u65b9\u6cd5<\/span>\uff0c<\/span>\u56e0\u4e3a\u5728\u8bbe\u8ba1\u4e2d\u5355\u7ec6\u80de\u7cfb\u751f\u957f\u4f7f\u7528\u6bcf\u4e2a\u751f\u7269\u6dfb\u52a0\u7269\u7684\u4fe1\u606f\u76ee\u524d\u96be\u4ee5\u83b7\u5f97<\/span>\u3002<\/span>\u5bf9\u4e8e\u7ec6\u80de\u57f9\u517b\u5b9e\u9a8c<\/span>\uff0cQSAR<\/span>\u65b9\u6cd5\u5047\u5b9a\u7c7b\u4f3c\u6d53\u5ea6\u7684\u751f\u7269\u6dfb\u52a0\u7269\u5728\u63a5\u79cd\u524d\u6dfb\u52a0\u5230\u57fa\u7840\u57f9\u517b\u57fa\u4e2d<\/span>\uff0c<\/span>\u6216\u4f5c\u4e3a\u57f9\u517b\u671f\u95f4\u7684\u8865\u6599<\/span>\u3002<\/span>\u6700\u7ec8\u7684\u4ea7\u54c1\u6d53\u5ea6<\/span>\uff08<\/span>\u86cb\u767d\u542b\u91cf<\/span>\uff09<\/span>\u548c\u5b8c\u6574\u6d3b\u7ec6\u80de<\/span>\uff08IVC\uff09<\/span>\u4ea7\u51fa\u53d8\u91cf\u76f4\u63a5\u4f7f\u7528\u5fae\u8f6f<\/span>Excel<\/span>\u7535\u5b50\u8868\u683c\u4e2d\u7684\u516c\u5f0f<\/span>1<\/span>\u548c<\/span>2<\/span>\u4ece\u5316\u5b66\u6210\u5206\u6570\u636e\u4e2d\u6a21\u62df<\/span>\u3002<\/span>\u5728\u8fd9\u4e9b\u65b9\u7a0b\u4e2d\u4f7f\u7528\u7684\u7ec4\u6210\u53d8\u91cf\u7531\u5316\u5b66\u6210\u5206\u6570\u636e\u96c6\u968f\u673a\u751f\u6210<\/span>\u3002<\/span>\u4e3a\u7b80\u5355\u8d77\u89c1<\/span>\uff0c<\/span>\u86cb\u767d\u542b\u91cf\u548c\u5b8c\u6574\u6d3b\u7ec6\u80de<\/span>\uff08IVC\uff09<\/span>\u5747\u4f7f\u7528\u5177\u6709\u76f8\u540c\u53d8\u91cf\u96c6\u7684\u7ebf\u6027\u65b9\u7a0b\u6a21\u62df<\/span>\uff0c<\/span>\u5047\u8bbe\u6ca1\u6709\u53d8\u91cf\u4ea4\u4e92<\/span>\u3002<\/span>\u9009\u62e9\u6bcf\u4e2a\u53d8\u91cf\u7684\u6307\u6807<\/span>\uff0c<\/span>\u4ee5\u63d0\u4f9b\u4e0e\u5df2\u53d1\u8868\u6587\u732e\u4e2d\u76f8\u4f3c\u7684\u86cb\u767d\u542b\u91cf\u548c\u5b8c\u6574\u6d3b\u7ec6\u80de<\/span>\uff08IVC\uff09<\/span>\u503c<\/span>\u3002<\/span>\u901a\u8fc7\u4ee5<\/span>\u00b110%<\/span>\u6807\u51c6\u504f\u5dee\u6dfb\u52a0\u4eba\u5de5\u566a\u58f0<\/span>\uff0c<\/span>\u4ea7\u751f\u6bcf\u4e2a\u8f93\u51fa\u53d8\u91cf\u7684\u4e00\u5f0f\u4e09\u4efd<\/span>\u3002<\/span>\u6bcf\u4e2a\u8bbe\u8ba1\u70b9\u7684<\/span>PCA<\/span>\u5f97\u5206\u548c\u8868<\/span>4<\/span>\u4e2d\u7684\u4e00\u5f0f\u4e09\u4efd\u86cb\u767d\u542b\u91cf\u548c\u5b8c\u6574\u6d3b\u7ec6\u80de<\/span>\uff08IVC\uff09<\/span>\u503c\u88ab\u7528\u4e8e\u62df\u5408<\/span>PLS<\/span>\u6a21\u578b<\/span>\u3002<\/span>\u5f97\u5230\u7684\u4e09\u8981\u7d20\u6a21\u578b\u91cc<\/span>R2Y\uff1d0.9\uff0cQ2\uff1d0.81\u3002<\/span><\/span><\/p>\n

\"\u57f9\u517b\u57fa\u548c\u8865\u6599\u4e2d\u751f\u7269\u6dfb\u52a0\u7269\u7684\u591a\u5143\u5206\u6790\"<\/p>\n

\u56fe<\/span>7<\/span>\u663e\u793a\u4e86\u6bd4\u8f83\u7ec6\u80de\u57f9\u517b\u6027\u80fd\u6570\u636e\u548c<\/span>PLS<\/span>\u6a21\u578b\u5bf9\u86cb\u767d\u542b\u91cf\u548c\u5b8c\u6574\u6d3b\u7ec6\u80de<\/span>\uff08IVC\uff09<\/span>\u503c\u7684\u9884\u6d4b\u7684\u7b49\u6548\u56fe<\/span>\u3002<\/span>\u8fd9\u4e24\u4e2a\u56fe\u663e\u793a\u51fa\u9884\u6d4b\u548c\u6a21\u62df\u6570\u636e\u4e4b\u95f4\u826f\u597d\u7684\u4e00\u81f4\u6027<\/span>\u3002<\/span>\u7b49\u6548\u56fe\u4e2d\u56de\u5f52\u7cfb\u6570<\/span>\uff08R2\uff09<\/span>\u7684\u5dee\u5f02\u8868\u660e\u86cb\u767d\u542b\u91cf\u6a21\u578b\u76f8\u5173\u6027\u4f18\u4e8e<\/span>IVC<\/span>\u6a21\u578b\u76f8\u5173\u6027<\/span>\u3002<\/span>\u8fd9\u4e9b\u5dee\u5f02\u662f\u6210\u5206\u53d8\u91cf\u7684\u76f8\u5bf9\u6743\u91cd\u51fd\u6570<\/span>\uff0c<\/span>\u7528\u4e8e\u6a21\u62df\u86cb\u767d\u542b\u91cf\u548c\u5b8c\u6574\u6d3b\u7ec6\u80de<\/span>\uff08IVC\uff09<\/span>\u503c<\/span>\u3002<\/span>\u4e0e<\/span>PC1\u30012<\/span>\u548c<\/span>3\uff08<\/span>\u56fe<\/span>2\uff09<\/span>\u5f3a\u70c8\u76f8\u5173<\/span>\uff08<\/span>\u8d1f\u8377<\/span>\uff09<\/span>\u7684\u6210\u5206\u53d8\u91cf\u5bf9\u86cb\u767d\u542b\u91cf\u548c\u5b8c\u6574\u6d3b\u7ec6\u80de<\/span>\uff08IVC\uff09<\/span>\u503c\u6709\u5f88\u5927\u5f71\u54cd<\/span>\u3002<\/span>\u6765\u81ea<\/span>PCA<\/span>\u5f97\u5206\u503c\u7684<\/span>PLS<\/span>\u6a21\u578b\u9884\u6d4b<\/span>\uff0c<\/span>\u800c\u4e0d\u662f\u6765\u81ea\u539f\u59cb\u6210\u5206\u6570\u636e<\/span>\uff0c<\/span>\u8bc1\u5b9e\u4e86<\/span>PCA<\/span>\u6a21\u578b\u4ece\u5316\u5b66\u6210\u5206\u6570\u636e\u6355\u83b7\u5145\u5206\u7684\u4fe1\u606f\u4ee5\u9884\u6d4b\u86cb\u767d\u542b\u91cf\u548c\u5b8c\u6574\u6d3b\u7ec6\u80de<\/span>\uff08IVC\uff09<\/span>\u503c\u7684\u80fd\u529b<\/span>\uff0c<\/span>\u6e90\u4e8e<\/span>QSAR<\/span>\u65b9\u6cd5\u4e14\u4f7f\u7528<\/span>PLS<\/span>\u6a21\u578b<\/span>\u3002<\/span>\u672a\u88ab\u7528\u4f5c\u8bad\u7ec3\u96c6\u7684\u4e00\u90e8\u5206\u7684\u6570\u636e\u5e93\u91cc\u7684\u5269\u4f59\u751f\u7269\u6dfb\u52a0\u7269<\/span>\uff0cPLS<\/span>\u6a21\u578b\u53ef\u4ee5\u7528\u6765\u9884\u6d4b\u5176\u57f9\u517b\u8868\u73b0<\/span>\u3002<\/span><\/span><\/p>\n

\"\u57f9\u517b\u57fa\u548c\u8865\u6599\u4e2d\u751f\u7269\u6dfb\u52a0\u7269\u7684\u591a\u5143\u5206\u6790\"<\/p>\n

\u56fe<\/span>8<\/span>\u4e2d\u7684<\/span>3D<\/span>\u8bc4\u5206\u56fe\u663e\u793a\u4e86\u6570\u636e\u5e93\u4e2d<\/span>\uff0c<\/span>\u5269\u4f59\u751f\u7269\u6dfb\u52a0\u7269\u5bf9\u5e94\u7684\u86cb\u767d\u542b\u91cf\u548c\u5b8c\u6574\u6d3b\u7ec6\u80de<\/span>\uff08IVC\uff09<\/span>\u503c\u7684\u9884\u6d4b\u7684\u8303\u56f4<\/span>\u3002<\/span>\u5728\u8fd9\u4e2a\u4f8b\u5b50\u4e2d<\/span>\uff0cPC1<\/span>\u548c<\/span>PC2<\/span>\u7684\u9633\u6027\u5f97\u5206\u503c\u66f4\u9ad8\u7684\u751f\u7269\u6dfb\u52a0\u7269<\/span>\uff0c<\/span>\u9884\u8ba1\u4f1a\u6709\u8f83\u9ad8\u7684\u76ee\u6807\u86cb\u767d\u542b\u91cf\u548c\u5b8c\u6574\u6d3b\u7ec6\u80de<\/span>\uff08IVC\uff09<\/span>\u503c<\/span>\u3002<\/span><\/span><\/p>\n

\n
MVA\u7684\u4e00\u79cd\u65b0\u5e94\u7528<\/span><\/section>\n<\/section>\n

\u8fd9\u9879\u5de5\u4f5c\u8868\u660e<\/span>\uff0cPCA<\/span>\u5efa\u6a21\u53ef\u4ee5\u7528\u6765\u89e3\u91ca<\/span>\uff0c<\/span>\u7528\u4e8e\u7ec6\u80de\u57f9\u517b\u6216\u53d1\u9175\u57f9\u517b\u57fa\u7684<\/span>ACF<\/span>\u751f\u7269\u6dfb\u52a0\u7269\u7684\u5316\u5b66\u7ec4\u6210<\/span>\u3002<\/span>\u5728<\/span>65<\/span>\u7c7b<\/span> ACF<\/span>\u751f\u7269\u6dfb\u52a0\u7269\u7684\u7ec4\u6210\u6570\u636e<\/span>65%<\/span>\u7684\u53d8\u5316\u53ef\u4ee5\u7528<\/span>PCA<\/span>\u6a21\u578b\u6765\u89e3\u91ca<\/span>\u3002<\/span>\u6b63\u5982\u9884\u671f\u7684\u90a3\u6837<\/span>\uff0cPCA<\/span>\u6a21\u578b\u8868\u660e<\/span>\uff0c<\/span>\u751f\u7269\u6dfb\u52a0\u7269\u7684\u6210\u5206\u4e3b\u8981\u5728\u6e38\u79bb\u6c28\u57fa\u9178<\/span>\uff08FAA\uff09<\/span>\u542b\u91cf<\/span>\uff08PC1\uff09<\/span>\u4e2d\u53d8\u5316\u663e\u8457<\/span>\u3002<\/span>\u603b\u6c28\u57fa\u9178<\/span>\uff08TAA\uff09<\/span>\u542b\u91cf\u5728\u5f88\u5927\u7a0b\u5ea6\u4e0a\u72ec\u7acb\u4e8e\u6e38\u79bb\u6c28\u57fa\u9178<\/span>\uff08FAA\uff09<\/span>\u542b\u91cf<\/span>\uff0c<\/span>\u56e0\u4e3a\u603b\u6c28\u57fa\u9178<\/span>\uff08TAA\uff09<\/span>\u53c2\u6570\u4e0e<\/span>PC2<\/span>\u5bc6\u5207\u76f8\u5173<\/span>\uff0c<\/span>\u800c\u6e38\u79bb\u6c28\u57fa\u9178<\/span>\uff08FAA\uff09<\/span>\u4e0e<\/span>PC1<\/span>\u5bc6\u5207\u76f8\u5173<\/span>\uff08<\/span>\u56fe<\/span>2\uff09\u3002<\/span>\u8bc4\u5206\u56fe\u8868\u660e<\/span>\uff0c<\/span>\u9175\u6bcd\u63d0\u53d6\u7269\u6e38\u79bb\u6c28\u57fa\u9178<\/span>\uff08FAA\uff09<\/span>\u6210\u5206\u6bd4<\/span>ACF<\/span>\u5171\u6df7\u7269\u86cb\u767d\u80e8\u6e38\u79bb\u6c28\u57fa\u9178<\/span>\uff08FAA<\/span>\u53d8\u5316\u66f4\u5927<\/span>\u3002<\/span>\u8fd9\u79cd\u5dee\u5f02\u53cd\u6620\u4e86\u5927\u8c46\u86cb\u767d\u80e8\u751f\u4ea7\u8fc7\u7a0b\u4e2d\u53ef\u4ee5\u5b9e\u73b0\u7684\u66f4\u9ad8\u7a0b\u5ea6\u7684\u5dee\u5f02\u63a7\u5236<\/span>\uff0c<\/span>\u6bd4\u8d77\u4f7f\u7528\u9175\u6bcd\u63d0\u53d6\u7269<\/span>\u3002<\/span><\/span><\/p>\n

\"\u57f9\u517b\u57fa\u548c\u8865\u6599\u4e2d\u751f\u7269\u6dfb\u52a0\u7269\u7684\u591a\u5143\u5206\u6790\"<\/p>\n

\u5bf9<\/span>Kerry Bioscience <\/span>\u751f\u7269\u6dfb\u52a0\u7269<\/span>\uff08Sheffield HyPep 1510 and SheffCHO PF\uff09<\/span>\u7684\u591a\u6279\u6b21\u7ec4\u6210\u5206\u6790\u4e0e<\/span>PCA<\/span>\u6a21\u578b\u8fdb\u884c\u6bd4\u8f83<\/span>\uff0c<\/span>\u8be5\u6a21\u578b\u5305\u542b\u6bcf\u4e2a\u4ea7\u54c1\u7684\u5178\u578b\u53c2\u8003\u6570\u636e<\/span>\uff08<\/span>\u56fe<\/span>3\uff09\u3002<\/span>\u867d\u7136<\/span>PCA<\/span>\u6a21\u578b\u5f88\u597d\u5730\u4ee3\u8868\u4e86\u8fd9\u4e24\u79cd\u4ea7\u54c1\u7684\u6279\u6b21\u53d8\u5316<\/span>\uff0c<\/span>\u5f53\u68c0\u6d4b\u6570\u636e\u4e0e<\/span>PCA<\/span>\u6a21\u578b\u8fdb\u884c\u6bd4\u8f83\u65f6<\/span>\uff0c<\/span>\u8fd8\u662f\u53d1\u73b0\u4e00\u4e9b\u6279\u95f4\u5dee\u5f02<\/span>\u3002HyPep1510<\/span>\u7684\u5178\u578b\u53c2\u8003\u6210\u5206\u4ee3\u8868\u4e86\u6d4b\u8bd5\u6279\u6b21<\/span>\u3002<\/span>\u5728\u603b\u6c28\u57fa\u9178<\/span>\uff08TAA\uff09<\/span>\u53d8\u5316\u548c\u6e38\u79bb\u6c28\u57fa\u9178<\/span>\uff08FAA\uff09<\/span>\u916a\u6c28\u9178\u542b\u91cf<\/span>\uff08<\/span>\u56fe<\/span>5\uff0c<\/span>\u5de6\u4fa7<\/span>\uff09<\/span>\u4e2d\u53d1\u73b0\u4e86\u4e00\u4e9b\u5fae\u5c0f\u7684\u5dee\u5f02<\/span>\uff0c<\/span>\u540e\u8005\u662f\u5178\u578b\u53c2\u8003\u6210\u5206<\/span>\uff08<\/span>\u56fe<\/span>5\uff0c<\/span>\u53f3<\/span>\uff09<\/span>\u7684\u4e24\u500d<\/span>\u3002SheffCHO PF<\/span>\u6279\u6b21<\/span>PCA<\/span>\u8bc4\u5206\u4e0e\u5178\u578b\u53c2\u8003\u7ec4\u5206\u6709\u4e00\u5b9a\u5dee\u5f02<\/span>\uff0c<\/span>\u4e0e\u5178\u578b\u7ec4\u5206\u5206\u79bb<\/span>\uff08<\/span>\u56fe<\/span>4\uff0c<\/span>\u5de6<\/span>\uff09\u3002<\/span>\u8fd9\u4e9b\u5c0f\u7684\u5dee\u5f02\u5f52\u56e0\u4e8e\u603b\u6c28\u57fa\u9178<\/span>\uff08TAA\uff09<\/span>\u542b\u91cf\u7684\u5dee\u5f02<\/span>\uff0c<\/span>\u7279\u522b\u662f\u603b\u534a\u80f1\u6c28\u9178<\/span>\u3001<\/span>\u603b\u4e1d\u6c28\u9178\u548c\u603b\u6c28\u57fa\u9178<\/span>\uff08TAA\uff09\u3002PCA<\/span>\u6a21\u578b\u786e\u5b9a\u6279\u6b21\u6570\u636e\u4e2d\u603b\u534a\u80f1\u6c28\u9178\u542b\u91cf\u6bd4\u5178\u578b\u53c2\u8003\u6570\u636e\u5927\u4e94\u500d<\/span>\uff08<\/span>\u56fe<\/span>4\uff0c<\/span>\u53f3<\/span>\uff09\u3002<\/span>\u56e0\u4e3a\u6e38\u79bb\u6c28\u57fa\u9178<\/span>\uff08FAA\uff09<\/span>\u542b\u91cf\u548c\u7406\u5316\u6570\u636e\u53d8\u5316\u4e0d\u5927<\/span>\uff0c<\/span>\u9501\u5b9a\u5728\u80bd\u4e2d\u7684\u603b\u6c28\u57fa\u9178<\/span>\uff08TAA\uff09<\/span>\u542b\u91cf\u5dee\u5f02\u7684\u751f\u7269\u5b66\u76f8\u5173\u6027\u662f\u672a\u77e5\u7684<\/span>\u3002<\/span>\u5176\u5f71\u54cd\u5e94\u53d6\u51b3\u4e8e\u57f9\u517b\u7269\u5206\u89e3\u591a\u80bd\u7684\u80fd\u529b<\/span>\uff0c<\/span>\u591a\u80bd\u5206\u89e3\u80fd\u529b\u4f9d\u8d56\u4e8e\u7ec6\u80de\u7cfb\u548c\u57f9\u517b\u751f\u957f\u7279\u6027<\/span>\u3002<\/span><\/span><\/p>\n

PCA<\/span>\u63d0\u4f9b\u4e86\u4e00\u79cd\u7b80\u5355<\/span>\u3001<\/span>\u76f4\u89c2\u7684\u65b9\u6cd5\u6765\u8bc4\u4f30\u751f\u7269\u6dfb\u52a0\u7269\u7684\u5316\u5b66\u7ec4\u6210\u4e2d\u7684\u591a\u5143\u5dee\u5f02<\/span>\u3002<\/span>\u5b83\u8fd8\u5141\u8bb8\u5feb\u901f\u8bc6\u522b\u5927\u91cf\u6279\u95f4\u5dee\u5f02\u7684\u6839\u672c\u539f\u56e0<\/span>\u3002<\/span>\u786e\u5b9a\u89c2\u5bdf\u5230\u7684\u6279\u6b21\u53d8\u5f02\u662f\u5426\u4e0e\u751f\u7269\u5b66\u76f8\u5173<\/span>\uff0c<\/span>\u9700\u8981\u989d\u5916\u7684\u57f9\u517b\u6570\u636e<\/span>\u3002<\/span>\u7c7b\u4f3c\u7684\u65b9\u6cd5\u88ab\u7528\u6765\u8bc4\u4f30\u6279\u6b21\u5dee\u5f02\u548c\u8bc4\u4f30\u65b0\u4ea7\u54c1\u7684\u7ec4\u6210<\/span>\u3002<\/span>\u8fd9\u4e9b\u65b0\u4ea7\u54c1\u5c06\u5305\u542b\u5728<\/span>PCA<\/span>\u6a21\u578b\u8bad\u7ec3\u96c6\u7684<\/span><\/span>\u672a\u6765\u7248\u672c<\/span>\u4e2d<\/span>\u3002<\/span>\u5c06<\/span>Solobia<\/span>\u548c<\/span>Organotechnie<\/span>\u751f\u4ea7\u7684\u65b0\u578b\u751f\u7269\u6dfb\u52a0\u7269\u4f7f\u7528<\/span>PCA<\/span>\u6a21\u578b\u8fdb\u884c\u4e86\u6bd4\u8f83<\/span>\u3002<\/span>\u6b63\u5982\u9884\u671f\u7684\u90a3\u6837<\/span>\uff0cPCA<\/span>\u6a21\u578b\u5f88\u597d\u5730\u4ee3\u8868\u4e86\u8bb8\u591a\u65b0\u4ea7\u54c1\u7684\u9884\u6d4b\u5f97\u5206<\/span>\u3002<\/span>\u4e24\u79cd\u4ea7\u54c1<\/span>\uff08<\/span>\u9ea6\u82bd\u63d0\u53d6\u7269\u548c\u9a6c\u94c3\u85af\u86cb\u767d\u80e8<\/span>\uff09<\/span>\u5728<\/span>PCA<\/span>\u6a21\u578b\u7684<\/span> Hotelling T2 <\/span>\u6781\u9650\u4e4b\u5916\u8f7b\u5fae\u4e0b\u964d<\/span>\uff0c<\/span>\u63d0\u793a\u9a6c\u94c3\u85af\u86cb\u767d\u80e8\u4e00\u4e2a\u5f88\u597d\u7684\u4e3b\u9898<\/span>\uff0c<\/span>\u6765\u6d4b\u8bd5\u6210\u5206\u5dee\u5f02\u662f\u5426\u9020\u6210\u4e0d\u540c\u7684\u57f9\u517b\u884c\u4e3a<\/span>\u3002<\/span><\/span><\/span><\/p>\n

\u57fa\u4e8e<\/span>QSAR<\/span>\u7684\u65b9\u6cd5\u53ef\u4ee5\u5c06<\/span>PCA<\/span>\u6a21\u578b\u4e2d\u6355\u83b7\u7684\u5316\u5b66\u6210\u5206\u6570\u636e\u4e0e\u57f9\u517b\u6027\u80fd\u76f8\u8054\u7cfb<\/span>\u3002<\/span>\u7531\u4e8e<\/span>PCA<\/span>\u6a21\u578b\u7684\u8f74\u662f\u6b63\u4ea4\u7684<\/span>\uff0c<\/span>\u56e0\u6b64\u53ef\u4ee5\u4f7f\u7528\u57fa\u4e8e\u7edf\u8ba1\u7684\u6790\u56e0\u8bbe\u8ba1\u5b9e\u9a8c\u6765\u8bc4\u4f30\u4ee3\u8868\u8bad\u7ec3\u96c6\u7684\u751f\u7269\u6dfb\u52a0\u7269\u7684\u5b50\u96c6<\/span>\u3002PLS<\/span>\u56de\u5f52\u6a21\u578b\u88ab\u7528\u4e8e\u5c06<\/span>PCA<\/span>\u5f97\u5206\u4e0e\u6a21\u62df\u7684\u57f9\u517b\u6027\u80fd\u76f8\u8054\u7cfb<\/span>\u3002<\/span>\u6240\u5f97\u5230\u7684\u7ed3\u679c\u6a21\u578b\u4f7f\u5f97\u6709\u53ef\u80fd\u786e\u5b9a\u4ea7\u54c1\u5dee\u5f02\u6216\u6279\u6b21\u5dee\u5f02\u662f\u5426\u4e0e\u88ab\u8bc4\u4f30\u7684\u7ec6\u80de\u7cfb\u751f\u7269\u5b66\u76f8\u5173<\/span>\u3002<\/span><\/span><\/p>\n

\u4e3a\u4e86\u5c06<\/span>QSAR<\/span>\u65b9\u6cd5\u5e94\u7528\u4e8e\u65b0\u7684\u7ec6\u80de\u7cfb<\/span>\uff0c<\/span>\u57f9\u517b\u7269\u53ef\u80fd\u751f\u957f\u5728\u542b\u6709\u4e0d\u540c\u751f\u7269\u6dfb\u52a0\u7269\u7684\u57fa\u7840\u57f9\u517b\u57fa\u4e2d<\/span>\u3002<\/span>\u4f46\u662f\u5fc5\u987b\u6ce8\u610f\u7531\u4e8e\u9002\u5e94\u65b0\u7684\u6761\u4ef6\u800c\u4e0d\u662f\u751f\u7269\u6dfb\u52a0\u7269\u7684\u5f71\u54cd\u800c\u5bfc\u81f4\u7684\u6539\u8fdb<\/span>\u3002<\/span>\u53e6\u5916<\/span>\uff0c<\/span>\u6dfb\u52a0\u5242\u7684\u4f7f\u7528\u5bf9\u57f9\u517b\u6027\u80fd\u7684\u5f71\u54cd\u53ef\u4ee5\u7528\u4e00\u81f4\u7684\u8865\u6599\u7b56\u7565\u6765\u8bc4\u4ef7<\/span>\u3002<\/span>\u8fd9\u79cd\u7b56\u7565\u901a\u5e38\u6d89\u53ca\u5728\u57f9\u517b\u8fbe\u5230\u7ec6\u80de\u5bc6\u5ea6\u5cf0\u503c\u540e\u6bcf\u9694\u4e00\u6bb5\u65f6\u95f4\u8865\u6599<\/span>\u3002<\/span>\u7136\u540e\u53ef\u4ee5\u5728\u56fa\u5b9a\u65f6\u95f4\u95f4\u9694\u5f80\u57f9\u517b\u4f53\u7cfb\u91cc\u6dfb\u52a0\u7531\u8868<\/span>3<\/span>\u6240\u793a\u7684\u751f\u7269\u6dfb\u52a0\u7269\u5236\u6210\u7684\u56fa\u5b9a\u91cf\u7684\u8865\u6599<\/span>\u3002<\/span><\/span><\/p>\n

\u57fa\u4e8e<\/span>QSAR<\/span>\u7684\u6bcf\u4e00\u4e2a\u65b0\u7ec6\u80de\u7cfb\u7684\u6a21\u578b\u4e5f\u5c06\u63d0\u4f9b\u4e00\u4e2a\u673a\u4f1a<\/span>\uff0c<\/span>\u5feb\u901f\u8bc4\u4f30\u5269\u4f59\u751f\u7269\u6dfb\u52a0\u7269\u5728\u6570\u636e\u5e93\u4e2d\u7684\u5f71\u54cd<\/span>\uff0c<\/span>\u4ee5\u53ca\u7ec6\u80de\u7cfb\u662f\u5426\u5177\u6709\u786e\u5207\u7684\u8425\u517b\u9700\u6c42<\/span>\u3002<\/span><\/span><\/p>\n

\u4e3a\u4e86\u7b80\u5316<\/span>QSAR<\/span>\u7684\u8fd9\u4e00\u5e94\u7528<\/span>\uff0c<\/span>\u4f7f\u7528\u6807\u51c6\u6790\u56e0\u8bbe\u8ba1\u9009\u62e9\u4e86\u751f\u7269\u6dfb\u52a0\u7269\u7684\u5b50\u96c6<\/span>\u3002<\/span>\u6709\u5efa\u8bae\u8868\u660e<\/span>\uff0c<\/span>\u6807\u51c6\u6790\u56e0\u8bbe\u8ba1\u4e0d\u80fd\u6709\u6548\u5730\u6620\u5c04\u7531<\/span>PCA<\/span>\u6a21\u578b\u6355\u83b7\u7684\u591a\u5143\u7a7a\u95f4<\/span>\u3002<\/span>\u4ed6\u4eec\u63a8\u8350\u4f7f\u7528<\/span>D-<\/span>\u6700\u4f18\u5b9e\u9a8c\u8bbe\u8ba1<\/span>\uff0c<\/span>\u53ef\u5bf9\u591a\u5143\u7a7a\u95f4\u63d0\u4f9b\u66f4\u6709\u6548\u7684\u8986\u76d6<\/span>\u3002<\/span>\u8fd9\u6837\u7684\u8bbe\u8ba1\u4f7f\u7528\u8ba1\u7b97\u673a\u7b97\u6cd5\u6765\u4ece\u4e00\u7ec4\u56fa\u5b9a\u6761\u4ef6\u4e2d\u9009\u62e9\u4e00\u4e2a\u5b50\u96c6<\/span>\uff0c<\/span>\u6765\u6709\u6548\u5730\u8986\u76d6\u591a\u5143\u7a7a\u95f4<\/span>\u3002<\/span>\u6b64\u5916<\/span>\uff0c<\/span>\u8fd9\u79cd\u8bbe\u8ba1\u8fd8\u53ef\u4ee5\u9002\u7528\u4e8e\u4f7f\u7528\u4e0d\u540c\u6d53\u5ea6\u7684\u751f\u7269\u6dfb\u52a0\u7269<\/span>\u3002<\/span><\/span><\/p>\n

PCA<\/span>\u7528\u4e8e\u5206\u6790\u4ece<\/span>145<\/span>\u4e2a\u751f\u7269\u6dfb\u52a0\u7269\u8f83\u5927\u7684\u6570\u636e\u96c6\u91cc\u5f97\u5230\u7684<\/span>65<\/span>\u79cd<\/span>ACF<\/span>\u751f\u7269\u6dfb\u52a0\u7269\u7684\u5b50\u96c6<\/span>\u3002<\/span>\u5df2\u6709\u66f4\u5927\u7684\u5b50\u96c6\u88ab\u5206\u6790<\/span>\uff0c<\/span>\u8fd9\u91cc\u6ca1\u6709\u62a5\u9053<\/span>\u3002<\/span>\u968f\u7740\u65b0\u7684\u751f\u7269\u6dfb\u52a0\u7269\u6216\u989d\u5916\u7684\u5206\u6790\u53d8\u5f97\u516c\u5f00\u53ef\u7528<\/span>\uff0c<\/span>\u6570\u636e\u96c6\u5c06\u6bcf\u5e74\u66f4\u65b0\u4e00\u6b21<\/span>\u3002<\/span><\/span><\/p>\n

\u672c\u6587\u63cf\u8ff0\u7684\u65b9\u6cd5\u53ef\u7528\u4e8e\u5feb\u901f\u8bc4\u4f30\u65b0\u7684\u7ec6\u80de\u7cfb<\/span>\u3002<\/span>\u7ec6\u80de\u7cfb\u5728\u5927\u591a\u6570\u5546\u4e1a\u53ef\u7528\u751f\u7269\u6dfb\u52a0\u7269\u4e0b\u7684\u7684\u6027\u80fd\u53ef\u4ee5\u88ab\u9884\u6d4b<\/span>\uff0c<\/span>\u901a\u8fc7\u4f7f\u7528\u5927\u91cf\u51cf\u5c11\u7684\u751f\u7269\u6dfb\u52a0\u7269\u7684\u5b50\u96c6\u5f00\u5c55\u4e00\u7cfb\u5217\u5b9e\u9a8c<\/span>\u3002<\/span>\u8be5\u5b50\u96c6\u53ef\u4ee5\u4f7f\u7528\u5b9e\u9a8c\u8bbe\u8ba1<\/span>\uff08DOE\uff09<\/span>\u65b9\u6cd5\u6765\u9009\u62e9<\/span>\uff0c<\/span>\u4f8b\u5982\u6790\u56e0\u8bbe\u8ba1\u6216<\/span>D-<\/span>\u6700\u4f18\u8bbe\u8ba1<\/span>\u3002<\/span>\u968f\u7740\u65b0\u7684\u751f\u7269\u6dfb\u52a0\u7269\u7684\u5546\u4e1a\u5316\u53ef\u7528<\/span>\uff0c<\/span>\u53ef\u4ee5\u4f7f\u7528<\/span>QSAR- PLS<\/span>\u6a21\u578b\u6cd5\u5feb\u901f\u9884\u6d4b\u7ec6\u80de\u7cfb\u7684\u6027\u80fd<\/span>\u3002<\/span><\/span><\/p>\n

\u53c2\u8003\u6765\u6e90\uff1aRonan.D.O’Kennedy.Multivariate Analysis of Biological Additives for Growth Media and Feeds.<\/span><\/span><\/p>\n

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\u8bc6\u522b\u5fae\u4fe1\u4e8c\u7ef4\u7801\uff0c\u6dfb\u52a0\u751f\u7269\u5236\u54c1\u5708\u5c0f\u7f16\uff0c\u7b26\u5408\u6761\u4ef6\u8005\u5373\u53ef\u52a0\u5165\u751f\u7269\u5236\u54c1\u5fae\u4fe1\u7fa4\uff01<\/strong>
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\u751f\u7269\u836f\u5de5\u4e1a\u5316\u751f\u4ea7\u4e2d\uff0c\u751f\u957f\u57f9\u517b\u57fa\u914d\u65b9\u4e2d\u901a\u5e38\u542b\u9175\u6bcd\u63d0\u53d6\u7269\u548c\u86cb\u767d\u80e8\u7b49\u6dfb\u52a0\u7269\u3002\u5c3d\u7ba1\u653f\u7b56\u9f13\u52b1\u516c\u53f8\u4f7f\u7528\u5316\u5b66\u9650\u5b9a\u6027\u57f9\u517b\u57fa\u4ee5\u51cf […]<\/p>\n","protected":false},"author":1,"featured_media":7450,"comment_status":"open","ping_status":"open","sticky":false,"template":"","format":"standard","meta":[],"categories":[2],"tags":[],"_links":{"self":[{"href":"https:\/\/www.05921.net\/index.php\/wp-json\/wp\/v2\/posts\/7449"}],"collection":[{"href":"https:\/\/www.05921.net\/index.php\/wp-json\/wp\/v2\/posts"}],"about":[{"href":"https:\/\/www.05921.net\/index.php\/wp-json\/wp\/v2\/types\/post"}],"author":[{"embeddable":true,"href":"https:\/\/www.05921.net\/index.php\/wp-json\/wp\/v2\/users\/1"}],"replies":[{"embeddable":true,"href":"https:\/\/www.05921.net\/index.php\/wp-json\/wp\/v2\/comments?post=7449"}],"version-history":[{"count":1,"href":"https:\/\/www.05921.net\/index.php\/wp-json\/wp\/v2\/posts\/7449\/revisions"}],"predecessor-version":[{"id":7466,"href":"https:\/\/www.05921.net\/index.php\/wp-json\/wp\/v2\/posts\/7449\/revisions\/7466"}],"wp:featuredmedia":[{"embeddable":true,"href":"https:\/\/www.05921.net\/index.php\/wp-json\/wp\/v2\/media\/7450"}],"wp:attachment":[{"href":"https:\/\/www.05921.net\/index.php\/wp-json\/wp\/v2\/media?parent=7449"}],"wp:term":[{"taxonomy":"category","embeddable":true,"href":"https:\/\/www.05921.net\/index.php\/wp-json\/wp\/v2\/categories?post=7449"},{"taxonomy":"post_tag","embeddable":true,"href":"https:\/\/www.05921.net\/index.php\/wp-json\/wp\/v2\/tags?post=7449"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}