{"id":5400,"date":"2015-06-11T16:26:58","date_gmt":"2015-06-11T08:26:58","guid":{"rendered":"\/\/www.gsbet888.com\/?p=5400"},"modified":"2019-08-02T18:55:25","modified_gmt":"2019-08-02T10:55:25","slug":"post-5400","status":"publish","type":"post","link":"\/\/www.gsbet888.com\/%e5%8c%96%e5%ad%a6%e6%9d%82%e8%ae%b0\/chemtool\/2015\/06\/post-5400.html","title":{"rendered":"\u8f7b\u677e\u753b\u51fa\u7ed3\u6784\u5f0f\u7684\u8bc0\u7a8d\uff01\uff1f\u6280\u80fd\u4ecb\u7ecd\u5e16"},"content":{"rendered":"<p>\u5927\u5bb6\u90fd\u662f\u600e\u4e48\u753b\u7ed3\u6784\u5f0f\u7684\u5462\uff1f\u7528\u00a0<span class=\"wp_keywordlink_affiliate\"><a class=\"ext-link ext-icon-2\" title=\"View all posts in ChemDraw\" href=\"http:\/\/www.chem-station.com\/tag\/chemdraw\">ChemDraw<\/a><\/span>\u00a0\u4ece\u5934\u5f00\u59cb\u753b\u867d\u7136\u4e5f\u5f88\u6709\u4e50\u8da3\uff0c\u4e4b\u524d\u6211\u4eec\u4e5f\u4e3a\u5927\u5bb6\u505a\u4e86\u4e00\u4e9b\u4ecb\u7ecd\uff0c\u4f46\u662f\u8fd9\u6b21\u60f3\u7ed9\u5927\u5bb6\u4ecb\u7ecd\u4e00\u4e0b\u5982\u4f55\u5728\u767e\u5fd9\u4e4b\u4e2d\u201c\u5077\u5de5\u201d\u753b\u7ed3\u6784\u5f0f\u7684\u65b9\u6cd5\u3002<\/p>\n<p>&nbsp;<\/p>\n<h4>1. \u7075\u6d3b\u8fd0\u7528\u80fd\u591f\u4e0b\u8f7d\u7684MOL\u683c\u5f0f\u6587\u4ef6\uff01<\/h4>\n<p>\u7f51\u7ad9\u4e2d\uff0c\u5316\u5b66\u7ed3\u6784\u5f0f\u7684\u6570\u636e\u6587\u4ef6\u901a\u5e38\u662fMOL\u683c\u5f0f\uff0c\u6bd4\u5982\uff0c\u4e92\u8054\u7f51\u4e2d\u514d\u8d39\u7684\u5316\u5b66\u4fe1\u606f\u6570\u636e\u5e93<\/p>\n<ul>\n<li><a class=\"ext-link ext-icon-2\" title=\"\" href=\"http:\/\/www.chemspider.com\/\">ChemSpider<\/a><\/li>\n<li><a class=\"ext-link ext-icon-2\" title=\"\" href=\"http:\/\/www.chemicalbook.com\/\">Chemical Book<\/a><\/li>\n<li><a class=\"ext-link ext-icon-2\" title=\"\" href=\"http:\/\/nikkajiweb.jst.go.jp\/nikkaji_web\/pages\/top.jsp\">\u65e5\u5316\u8f9e Web<\/a><\/li>\n<\/ul>\n<p>\u7b49\u5404\u7c7b\u7f51\u7ad9\u4e2d\u63d0\u4f9b\u7684\u5316\u5b66\u7ed3\u6784\u5f0f\u4fe1\u606f\u90fd\u662f\u7528\u7684\u8fd9\u79cd\u683c\u5f0f\u3002\u4f8b\u5982\u7528ChemSpider\u8bd5\u7740\u68c0\u7d22\u4e00\u4e0bmaitoxin\u5206\u5b50\u3002ChemSpider \u662f 2015 \u5e74 5 \u6708 21 \u65e5\u66f4\u65b0\uff0c\u4e0e\u4e4b\u524d\u7684\u754c\u9762\u76f8\u6bd4\u66f4\u52a0\u597d\u7528\u3002<\/p>\n<p><a href=\"https:\/\/assets.www.gsbet888.com\/uploads\/2015\/06\/ITbM1.jpg\"><br \/>\n<\/a> <a href=\"https:\/\/assets.www.gsbet888.com\/uploads\/2015\/06\/ChemSpider-021.png\"><img loading=\"lazy\" decoding=\"async\" class=\"aligncenter size-large wp-image-5404\" src=\"https:\/\/assets.www.gsbet888.com\/uploads\/2015\/06\/ChemSpider-021-680x390.png\" alt=\"ChemSpider-021\" width=\"680\" height=\"390\" srcset=\"https:\/\/assets.www.gsbet888.com\/uploads\/2015\/06\/ChemSpider-021-680x390.png 680w, https:\/\/assets.www.gsbet888.com\/uploads\/2015\/06\/ChemSpider-021-300x172.png 300w, https:\/\/assets.www.gsbet888.com\/uploads\/2015\/06\/ChemSpider-021.png 1008w\" sizes=\"(max-width: 680px) 100vw, 680px\" \/><\/a><\/p>\n<p>&nbsp;<\/p>\n<p>\u5728\u68c0\u7d22\u7ed3\u679c\u7684\u753b\u9762\u6309\u4e0bSave\u952e\uff0c\u5c31\u80fd\u4fdd\u5b58MOL\u6587\u4ef6\u3002\u5c1d\u8bd5\u7740\u7528Marvin Sketch \u6253\u5f00\uff08Marvin Sketch \u662fWindows\/Mac\/Linux \u7b49\u73af\u5883\u4e0b\u8fd0\u884c\u7684\u514d\u8d39\u5316\u5b66\u5f0f\u7f16\u8f91\u8f6f\u4ef6\u3002\u5f53\u7136\u5982\u679c\u7535\u8111\u4e0a\u672c\u6765\u5c31\u5b89\u88c5\u6709 ChemDraw \u53ca Windows \u7528 \u7684ChemSketch \u7684\u8bdd\uff0c\u76f4\u63a5\u80fd\u591f\u8f7b\u6613\u6253\u5f00\u3002<\/p>\n<p style=\"text-align: center\"><a href=\"https:\/\/assets.www.gsbet888.com\/uploads\/2015\/06\/ChemSpider-03.png\"><img loading=\"lazy\" decoding=\"async\" class=\"aligncenter size-large wp-image-5405\" src=\"https:\/\/assets.www.gsbet888.com\/uploads\/2015\/06\/ChemSpider-03-680x487.png\" alt=\"ChemSpider-03\" width=\"680\" height=\"487\" srcset=\"https:\/\/assets.www.gsbet888.com\/uploads\/2015\/06\/ChemSpider-03-680x487.png 680w, https:\/\/assets.www.gsbet888.com\/uploads\/2015\/06\/ChemSpider-03-300x215.png 300w, https:\/\/assets.www.gsbet888.com\/uploads\/2015\/06\/ChemSpider-03.png 1043w\" sizes=\"(max-width: 680px) 100vw, 680px\" \/><\/a><\/p>\n<p>&nbsp;<\/p>\n<p>\u7ec6\u770b\u4e00\u4e0b\u7ed3\u6784\u5f0f\u7684\u8bdd\uff0c\u53ef\u80fd\u8fd8\u662f\u6709\u4e9b\u7ec6\u5c0f\u7684\u9519\u8bef\uff0c\u4e0d\u8fc7\u57fa\u672c\u7684\u9aa8\u67b6\u5df2\u7ecf\u5b8c\u6210\uff0c\u628a\u9519\u8bef\u7684\u5730\u65b9\u5c0f\u5c0f\u6539\u52a8\u4e00\u4e0b\u5c31\u80fd\u4f7f\u7528\u4e86\uff01<\/p>\n<p>&nbsp;<\/p>\n<h4>2. \u4ece\u8bba\u6587\u4e2d\u201c\u76d7\u53d6\u201d\u7ed3\u6784\u5f0f\uff01<\/h4>\n<p>\u4e0a\u8ff0\u7b2c\u4e00\u79cd\u65b9\u6cd5\uff0c\u53ef\u80fd\u662f\u76ee\u524d\u6700\u5e38\u7528\u7684\u529e\u6cd5\u3002\u4f46\u662f\uff0c\u65b0\u5408\u6210\u7684\u5316\u5408\u7269\u5927\u591a\u662f\u6570\u636e\u5e93\u91cc\u5e76\u6ca1\u6709\u6536\u5f55\u3002\u4e3a\u4e86\u80fd\u591f\u5728\u8fd9\u79cd\u60c5\u51b5\u4e0b\u4f7f\u7528\u3001\u9700\u8981\u7528\u5230\u5728<strong>Firefox \u53ca Chrome \u6d4f\u89c8\u5668\u4e0b\u8fd0\u884c\u7684\u63d2\u4ef6\u300cNCATSFind\u300d<\/strong>\u3002\u7b14\u8005\u7528 Windows\/Mac \u7cfb\u7edf\u4e0b\u7684 Firefox\/Chrome\u6d4f\u89c8\u5668\u5206\u522b\u8bd5\u4e86\u4e00\u4e0b\uff0c \u90fd\u6ca1\u6709\u95ee\u9898\u3002<\/p>\n<p>&nbsp;<\/p>\n<ul>\n<li><strong>Firefox \u7248<\/strong><br \/>\n\u60f3\u8981\u6bd4\u8f83\u5bb9\u6613\u4e0a\u624b\u7684\u65b9\u6cd5\u7684\u8bdd\u5c31\u4e0b\u8f7d\u5b89\u88c5\u70b9\u51fb<a class=\"ext-link ext-icon-2\" title=\"\" href=\"http:\/\/tripod.nih.gov\/ncatsfind\/ncats-find.xpi\">\u8fd9\u91cc<\/a>\u3001\u76f4\u63a5\u4e0b\u8f7d ncats-find.xpi \u8fd9\u4e2a\u6587\u4ef6\uff0c\u548c\u4e00\u822c\u7684\u52a0\u8f7d\u9879\u4e00\u6837\u9700\u8981\u6fc0\u6d3b\u3002<\/li>\n<li><strong>Chrome \u7248<\/strong>\uff08\u82e5\u662f\u4e0d\u592a\u660e\u767d\u7684\u8bdd\u5c31\u7528firefox\u7248\uff09<br \/>\n\u9700\u8981\u7528\u5230\u300c\u8f6f\u4ef6\u7ec4\u5efa\u300d\u8fd9\u6837\u7684\u64cd\u4f5c\u3002\u867d\u7136\u53eb\u505a\u8f6f\u4ef6\u7ec4\u4ef6\uff0c\u5176\u5b9e\u53ea\u8981\u8fd0\u884c\u6279\u5904\u7406\u6587\u4ef6\u6216\u8005Shell\u811a\u672c\uff0c\u5c31\u77ac\u95f4\u641e\u5b9a\u4e86\u3002\u5177\u4f53\u8bf7\u70b9\u51fb<a class=\"ext-link ext-icon-2\" title=\"\" href=\"https:\/\/github.com\/ncats\/NCATSFind\/archive\/master.zip\">\u8fd9\u91cc<\/a>\u4e0b\u8f7dzip \u6587\u4ef6\uff0c\u7136\u540e\u89e3\u538b\u3002Windows \u7684\u8bdd chromeBuild.bat \u53ea\u8981\u53cc\u51fb\u5c31\u53ef\u4ee5\u4e86\uff0cMac\u53ca\u5176\u5b83\u7cfb\u7edf\u7684\u8bdd\uff0c\u8bf7\u5c06chromeBuild.sh \u5728\u7ec8\u7aef\u8fd0\u884c\u3002\u8f6f\u4ef6\u7ec4\u88c5\u4e86\u4ee5\u540e\uff0c\u7528<strong>\u300c\u6269\u5c55\u63d2\u4ef6\u300d\u7684\u5f00\u53d1\u6a21\u5f0f<\/strong>\u300c\u8bfb\u53d6\u672a\u6253\u5305\u7684\u6269\u5c55\u63d2\u4ef6\u300d\u6765\u5b89\u88c5\u3002\uff08\u5c0f\u7f16\u6b64\u5904\u77ac\u95f4\u89c9\u5f97\u81ea\u5df1\u7684\u7535\u8111\u77e5\u8bc6\u7b80\u76f4\u5f31\u7206\u4e86\uff0c\u4e13\u4e1a\u7528\u8bed\u7ffb\u8bd1\u6709\u51fa\u5165\u8fd8\u8bf7\u8c05\u89e3\uff0c\u6bd5\u7adf\u4e0d\u662f\u8fd9\u65b9\u9762\u8fbe\u4eba\uff09<\/li>\n<\/ul>\n<p>&nbsp;<\/p>\n<p>Chrome \u7248\u5728Mac\u7cfb\u7edf\u4e0b\u53ef\u4ee5\u8fb9\u4f7f\u7528\u8fb9\u622a\u56fe\uff0c\u8fd9\u4e00\u70b9\u7740\u5b9e\u662f\u65b9\u4fbf\uff0cFirefox \u7248\u5728 Mac \u4e0b\u4f7f\u7528\uff0c<a class=\"ext-link ext-icon-2\" title=\"\" href=\"http:\/\/acetaminophen.hatenablog.com\/entry\/2015\/04\/20\/153903\">\u8fd9\u91cc<\/a>\u53ef\u4ee5\u622a\u56fe\u3002Windows \u7684\u8bdd\u5219\u662f\u5b8c\u5168\u76f8\u540c\u7684\u754c\u9762\u3002<\/p>\n<p>\u4f8b\u5982<a class=\"ext-link ext-icon-2\" title=\"\" href=\"http:\/\/pubs.acs.org\/doi\/abs\/10.1021\/ja512059d\">\u4e0b\u9762\u8bba\u6587<\/a>\u6458\u8981\u4e2d\u7684\u56fe\uff0c\u5c31\u6700\u53f3\u8fb9\u7684\u6784\u9020\u5f0f\u6765\u6f14\u793a\u4e00\u4e0b\u3002\u00a0Chrome \u754c\u9762\u53f3\u4e0a\u82ef\u73af\u6837\u5f0f\u7684\u56fe\u6807\uff0c\u70b9\u51fb\u4e00\u4e0b\uff0c\u9009\u62e9\u300c<strong>Screen area to Structure<\/strong>\u300d\u3002<\/p>\n<p>&nbsp;<\/p>\n<p><a href=\"https:\/\/assets.www.gsbet888.com\/uploads\/2015\/06\/Chrome-NCATS01.png\"><img loading=\"lazy\" decoding=\"async\" class=\"aligncenter size-large wp-image-5406\" src=\"https:\/\/assets.www.gsbet888.com\/uploads\/2015\/06\/Chrome-NCATS01-680x446.png\" alt=\"Chrome-NCATS01\" width=\"680\" height=\"446\" srcset=\"https:\/\/assets.www.gsbet888.com\/uploads\/2015\/06\/Chrome-NCATS01-680x446.png 680w, https:\/\/assets.www.gsbet888.com\/uploads\/2015\/06\/Chrome-NCATS01-300x197.png 300w, https:\/\/assets.www.gsbet888.com\/uploads\/2015\/06\/Chrome-NCATS01.png 1380w\" sizes=\"(max-width: 680px) 100vw, 680px\" \/><\/a><\/p>\n<p>&nbsp;<\/p>\n<p>&nbsp;<\/p>\n<p>\u5c4f\u5e55\u4e2d\u51fa\u73b0\u4e86\u4f7f\u7528\u65b9\u6cd5\u7684\u8bf4\u660e\uff0c\u6309\u7167\u63d0\u793a\u5b8c\u6210\u64cd\u4f5c\u3002<\/p>\n<p>&nbsp;<\/p>\n<p><a href=\"https:\/\/assets.www.gsbet888.com\/uploads\/2015\/06\/Chrome-NCATS03.png\"><img loading=\"lazy\" decoding=\"async\" class=\"aligncenter size-large wp-image-5407\" src=\"https:\/\/assets.www.gsbet888.com\/uploads\/2015\/06\/Chrome-NCATS03-680x236.png\" alt=\"Chrome-NCATS03\" width=\"680\" height=\"236\" srcset=\"https:\/\/assets.www.gsbet888.com\/uploads\/2015\/06\/Chrome-NCATS03-680x236.png 680w, https:\/\/assets.www.gsbet888.com\/uploads\/2015\/06\/Chrome-NCATS03-300x104.png 300w, https:\/\/assets.www.gsbet888.com\/uploads\/2015\/06\/Chrome-NCATS03.png 1033w\" sizes=\"(max-width: 680px) 100vw, 680px\" \/><\/a><\/p>\n<p>&nbsp;<\/p>\n<p>\u62d6\u653e\u9009\u4e2d\u7ed3\u6784\u5f0f\uff0c\u70b9\u51fbProcess\uff0c\u7ed3\u6784\u5f0f\u5c31\u80fd\u88ab<a href=\"http:\/\/zh.wikipedia.org\/zh\/%E5%85%89%E5%AD%A6%E5%AD%97%E7%AC%A6%E8%AF%86%E5%88%AB\">\u5149\u5b66\u5b57\u7b26\u8bc6\u522b<\/a>\u529f\u80fd\u5316\u800c\u88ab\u8bc6\u522b\uff01 \u70b9\u51fb\u4e0a\u8fb9\u7684\u300cSave Molfile\u300d\u3001\u4e0b\u8f7dMOL \u6587\u4ef6\u3002<\/p>\n<p>&nbsp;<\/p>\n<p style=\"text-align: center\"><a href=\"https:\/\/assets.www.gsbet888.com\/uploads\/2015\/06\/Chrome-NCATS05.png\"><img loading=\"lazy\" decoding=\"async\" class=\"aligncenter size-large wp-image-5408\" src=\"https:\/\/assets.www.gsbet888.com\/uploads\/2015\/06\/Chrome-NCATS05-680x498.png\" alt=\"Chrome-NCATS05\" width=\"680\" height=\"498\" srcset=\"https:\/\/assets.www.gsbet888.com\/uploads\/2015\/06\/Chrome-NCATS05-680x498.png 680w, https:\/\/assets.www.gsbet888.com\/uploads\/2015\/06\/Chrome-NCATS05-300x219.png 300w, https:\/\/assets.www.gsbet888.com\/uploads\/2015\/06\/Chrome-NCATS05.png 872w\" sizes=\"(max-width: 680px) 100vw, 680px\" \/><\/a><\/p>\n<p>&nbsp;<\/p>\n<p>\u8fd9\u91cc\u4e5f\u8bd5\u8bd5\u7528Marvin Sketch\u6253\u5f00\u3002<\/p>\n<p>&nbsp;<\/p>\n<p><a href=\"https:\/\/assets.www.gsbet888.com\/uploads\/2015\/06\/Chrome-NCATS06.png\"><img loading=\"lazy\" decoding=\"async\" class=\"aligncenter size-full wp-image-5409\" src=\"https:\/\/assets.www.gsbet888.com\/uploads\/2015\/06\/Chrome-NCATS06.png\" alt=\"Chrome-NCATS06\" width=\"599\" height=\"562\" srcset=\"https:\/\/assets.www.gsbet888.com\/uploads\/2015\/06\/Chrome-NCATS06.png 599w, https:\/\/assets.www.gsbet888.com\/uploads\/2015\/06\/Chrome-NCATS06-300x281.png 300w\" sizes=\"(max-width: 599px) 100vw, 599px\" \/><\/a><\/p>\n<p>&nbsp;<\/p>\n<p>&nbsp;<\/p>\n<p>\u5927\u5bb6\u7528\u8fc7\u7684<a href=\"http:\/\/zh.wikipedia.org\/zh\/%E5%85%89%E5%AD%A6%E5%AD%97%E7%AC%A6%E8%AF%86%E5%88%AB\">\u5149\u5b66\u5b57\u7b26\u8bc6\u522b<\/a>\u00a0\uff08OCR\uff09\u7684\u4eba\u53ef\u80fd\u77e5\u9053\uff0c\u6709\u65f6\u5019\u8bef\u8bfb\u53d6\u7684\u60c5\u51b5\u4f1a\u53d1\u751f\uff0c\u4f46\u662f\u7ed3\u6784\u9aa8\u67b6\u6709\u4e86\u7684\u8bdd\uff0c\u7a0d\u4f5c\u4fee\u6b63\u5c31\u80fd\u5b8c\u6210\u7ed3\u6784\u5f0f\u3002<\/p>\n<p>&nbsp;<\/p>\n<h4>\u7ed3\u8bed<\/h4>\n<p>\u600e\u4e48\u6837\uff0c\u6d3b\u7528\u7f51\u7edc\u8d44\u6e90\uff0c\u8fd9\u6837\u590d\u6742\u7684\u7ed3\u6784\u5f0f\u4e5f\u80fd\u7b80\u5355\u63cf\u753b\u4e86\u3002NCATSFind \u4e2d\u4e5f\u6709\u300c\u4ece\u7f51\u7edc\u7ad9\u70b9\u4e2d\u81ea\u52a8\u8bc6\u522b<strong>\u00a0CAS Number <\/strong>\u7684\u529f\u80fd\u300d\u3001\u8fd9\u4e2a\u4e5f\u5f88\u65b9\u4fbf\uff0c\u5927\u5bb6\u4e0d\u59a8\u8bd5\u8bd5\u5427\u3002<\/p>\n<p>&nbsp;<\/p>\n<p><strong>\u672c\u6587\u7248\u6743\u5c5e\u4e8e\u00a0<a href=\"\/\/www.gsbet888.com\/\">Chem-Station\u5316\u5b66\u7a7a\u95f4<\/a>\uff0c \u6b22\u8fce\u70b9\u51fb\u6309\u94ae\u5206\u4eab\uff0c\u672a\u7ecf\u8bb8\u53ef\uff0c\u8c22\u7edd\u8f6c\u8f7d\uff01<\/strong> <\/p>\n","protected":false},"excerpt":{"rendered":"\u5927\u5bb6\u90fd\u662f\u600e\u4e48\u753b\u7ed3\u6784\u5f0f\u7684\u5462\uff1f\u7528\u00a0ChemDraw\u00a0\u4ece\u5934\u5f00\u59cb\u753b\u867d\u7136\u4e5f\u5f88\u6709\u4e50\u8da3\uff0c\u4e4b\u524d\u6211\u4eec\u4e5f\u4e3a\u5927\u5bb6\u505a\u4e86\u4e00\u4e9b\u4ecb\u7ecd\uff0c\u4f46\u662f\u8fd9\u6b21\u60f3\u7ed9\u5927\u5bb6\u4ecb\u7ecd\u4e00\u4e0b\u5982\u4f55\u5728\u767e\u5fd9\u4e4b\u4e2d\u201c\u5077\u5de5\u201d\u753b\u7ed3\u6784\u5f0f\u7684\u65b9\u6cd5\u3002 &nbsp; 1. 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