{"id":12777,"date":"2024-04-15T09:39:01","date_gmt":"2024-04-15T00:39:01","guid":{"rendered":"https:\/\/www.ecomottblog.com\/?p=12777"},"modified":"2024-04-17T10:02:12","modified_gmt":"2024-04-17T01:02:12","slug":"%e6%9c%89%e6%a9%9f%e5%90%88%e6%88%90%e5%88%86%e9%87%8e%e3%81%b8%e3%81%aellm%e9%81%a9%e7%94%a8","status":"publish","type":"post","link":"https:\/\/www.ecomottblog.com\/?p=12777","title":{"rendered":"\u6709\u6a5f\u5408\u6210\u5206\u91ce\u3078\u306eLLM\u9069\u7528"},"content":{"rendered":"<p><img loading=\"lazy\" decoding=\"async\" class=\"wp-image-12608 alignright\" src=\"https:\/\/www.ecomottblog.com\/cmswp\/wp-content\/uploads\/2024\/03\/Chem_robot.png\" alt=\"\" width=\"242\" height=\"243\" srcset=\"https:\/\/www.ecomottblog.com\/wp-content\/uploads\/2024\/03\/Chem_robot.png 585w, https:\/\/www.ecomottblog.com\/wp-content\/uploads\/2024\/03\/Chem_robot-150x150.png 150w, https:\/\/www.ecomottblog.com\/wp-content\/uploads\/2024\/03\/Chem_robot-300x300.png 300w, https:\/\/www.ecomottblog.com\/wp-content\/uploads\/2024\/03\/Chem_robot-213x214.png 213w, https:\/\/www.ecomottblog.com\/wp-content\/uploads\/2024\/03\/Chem_robot-259x260.png 259w\" sizes=\"(max-width: 242px) 100vw, 242px\" \/><br \/>\n\u3053\u3093\u306b\u3061\u306f\u3001\u30c7\u30fc\u30bf\u30a2\u30ca\u30ea\u30c6\u30a3\u30af\u30b9\u90e8\u306e\u30d5\u30d0\u30c1\u30fb\u30ed\u30d9\u30eb\u30c8\u3067\u3059\u3002\u6545\u90f7\u30dd\u30fc\u30e9\u30f3\u30c9\u3067\u306f\u65e2\u306b\u96ea\u304c\u6eb6\u3051\u3001\u65e5\u5897\u3057\u306b\u6696\u304b\u3055\u3092\u611f\u3058\u3089\u308c\u308b\u3088\u3046\u306b\u306a\u308a\u307e\u3057\u305f\u3002\u4ee5\u524d\u3001\u6709\u6a5f\u5316\u5408\u7269\u306e\u5408\u6210\u306b\u643a\u308f\u3063\u3066\u3044\u305f\u4f1a\u793e\u3067\u306e\u7d4c\u9a13\u304c\u601d\u3044\u8d77\u3053\u3055\u308c\u307e\u3059\u3002\u305d\u306e\u4f1a\u793e\u306f\u5b89\u5168\u3092\u8003\u616e\u3057\u3066\u4eba\u91cc\u96e2\u308c\u305f\u68ee\u6797\u306b\u56f2\u307e\u308c\u305f\u4e18\u9675\u5730\u5e2f\u306b\u4f4d\u7f6e\u3057\u3066\u304a\u308a\u3001\u56db\u5b63\u6298\u3005\u306e\u98a8\u666f\u306e\u5909\u5316\u3092\u697d\u3057\u3080\u3053\u3068\u304c\u3067\u304d\u307e\u3057\u305f\u3002\u51ac\u306f\u96ea\u306b\u8986\u308f\u308c\u305f\u88f8\u306e\u6728\u3005\u304c\u7279\u5fb4\u7684\u3067\u3001\u6625\u304c\u8a2a\u308c\u308b\u3068\u3001\u65b0\u7dd1\u304c\u773c\u524d\u306b\u5e83\u304c\u308a\u59cb\u3081\u3001\u3055\u307e\u3056\u307e\u306a\u8272\u304c\u6df7\u3058\u308a\u5408\u3044\u307e\u3059\u3002\u590f\u306b\u306a\u308b\u3068\u3001\u7dd1\u304c\u6df1\u307e\u308a\u3001\u79cb\u306b\u306f\u69d8\u3005\u306a\u8272\u3078\u3068\u5909\u308f\u308a\u3086\u304f\u69d8\u5b50\u304c\u3001\u307e\u308b\u3067\u7d75\u753b\u306e\u3088\u3046\u3067\u3057\u305f\u3002<\/p>\n<p>&nbsp;<\/p>\n<h1>\u306f\u3058\u3081\u306b<\/h1>\n<p>\u6709\u6a5f\u5408\u6210\u306e\u5206\u91ce\u3067\u306f\u3001\u4e3b\u306a\u76ee\u6a19\u306e\u4e00\u3064\u306f\u3001\u65e2\u5b58\u306e\u6709\u6a5f\u5316\u5408\u7269\u3092\u3088\u308a\u52b9\u679c\u7684\u306b\u751f\u6210\u3059\u308b\u65b0\u3057\u3044\u65b9\u6cd5\u3092\u958b\u767a\u3059\u308b\u3053\u3068\u3067\u3059\u3002\u307e\u305f\u3001\u7279\u5b9a\u306e\u671b\u307e\u3057\u3044\u6027\u8cea\u3092\u6301\u3064\u65b0\u3057\u3044\u5316\u5408\u7269\u3092\u8a2d\u8a08\u3059\u308b\u3053\u3068\u3082\u91cd\u8981\u3067\u3059\u3002\u3053\u308c\u3092\u9054\u6210\u3059\u308b\u305f\u3081\u306b\u306f\u3001\u65b0\u3057\u3044\u5316\u5408\u7269\u306e\u5206\u5b50\u69cb\u9020\u3092\u30c7\u30b6\u30a4\u30f3\u3057\u3001\u305d\u308c\u306b\u9069\u3057\u305f\u5408\u6210\u65b9\u6cd5\u3092\u958b\u767a\u3059\u308b\u5fc5\u8981\u304c\u3042\u308a\u307e\u3059\u3002<br \/>\n<!--more--><br \/>\n\u3053\u308c\u3089\u306e\u76ee\u6a19\u3092\u9054\u6210\u3059\u308b\u306b\u306f\u3001\u591a\u304f\u306e\u6642\u9593\u3068\u7814\u7a76\u30c1\u30fc\u30e0\u306e\u52aa\u529b\u3001\u5341\u5206\u306a\u8cc7\u91d1\u306e\u652f\u63f4\u304c\u4e0d\u53ef\u6b20\u3067\u3059\u3002\u305d\u306e\u305f\u3081\u3001\u79d1\u5b66\u8005\u3084\u8d77\u696d\u5bb6\u306f\u3001\u7814\u7a76\u3092\u652f\u63f4\u3059\u308b\u305f\u3081\u306e\u52b9\u7387\u7684\u306a\u30b3\u30f3\u30d4\u30e5\u30fc\u30bf\u652f\u63f4\u6280\u8853\u306e\u958b\u767a\u306b\u6ce8\u529b\u3057\u3066\u3044\u307e\u3059\u3002\u8fd1\u5e74\u3067\u306f\u3001\u4eba\u5de5\u77e5\u80fd\uff08\u7279\u306b\u30cb\u30e5\u30fc\u30e9\u30eb\u30cd\u30c3\u30c8\u30ef\u30fc\u30af\uff09\u3092\u5229\u7528\u3057\u3066\u6709\u6a5f\u5408\u6210\u306e\u554f\u984c\u3092\u89e3\u6c7a\u3057\u3088\u3046\u3068\u3059\u308b\u7814\u7a76\u304c\u9032\u3093\u3067\u3044\u307e\u3059\u3002\u3053\u306e\u305f\u3081\u306b\u306f\u3001\u5316\u5408\u7269\u3084\u53cd\u5fdc\u3092\u30b3\u30f3\u30d4\u30e5\u30fc\u30bf\u304c\u7406\u89e3\u3067\u304d\u308b\u5f62\u5f0f\u3067\u8a18\u8ff0\u3059\u308b\u3053\u3068\u304c\u6c42\u3081\u3089\u308c\u307e\u3059\u3002\u4f8b\u3048\u3070\u3001SMILES\uff08\u7c21\u6613\u5206\u5b50\u5165\u529b\u7dda\u5f62\u8868\u73fe\u30b7\u30b9\u30c6\u30e0\uff09\u306f\u3001\u5316\u5b66\u69cb\u9020\u3092\u77ed\u3044ASCII\u6587\u5b57\u5217\u3067\u8868\u73fe\u3059\u308b\u65b9\u6cd5\u3068\u3057\u3066\u5e83\u304f\u7528\u3044\u3089\u308c\u3066\u3044\u307e\u3059\uff08\u56f31\u3092\u53c2\u7167\u3057\u3066\u304f\u3060\u3055\u3044\uff09\u3002<\/p>\n<p>\u4eba\u5de5\u77e5\u80fd\u306e\u9032\u6b69\u306b\u3088\u308a\u3001ChatGPT\u306e\u3088\u3046\u306a\u5927\u898f\u6a21\u8a00\u8a9e\u30e2\u30c7\u30eb\u304c\u958b\u767a\u3055\u308c\u307e\u3057\u305f\u3002\u3053\u308c\u3089\u306e\u30e2\u30c7\u30eb\u306f\u79d1\u5b66\u3001\u91d1\u878d\u3001\u30bd\u30d5\u30c8\u30a6\u30a7\u30a2\u5de5\u5b66\u306a\u3069\u591a\u5c90\u306b\u308f\u305f\u308b\u5206\u91ce\u3067\u306e\u5fdc\u7528\u304c\u8a55\u4fa1\u3055\u308c\u3066\u3044\u307e\u3059\u3002\u5927\u898f\u6a21\u8a00\u8a9e\u30e2\u30c7\u30eb\u306e\u767b\u5834\u306b\u3088\u308a\u3001\u7814\u7a76\u8005\u305f\u3061\u306f\u5316\u5b66\u30d7\u30ed\u30bb\u30b9\u306e\u6539\u5584\u306b\u3053\u308c\u3089\u3092\u6d3b\u7528\u3059\u308b\u6a5f\u4f1a\u3092\u63a2\u6c42\u3057\u3066\u3044\u307e\u3059\u3002\u7279\u306b\u30a4\u30f3\u30bf\u30fc\u30cd\u30c3\u30c8\u3092\u901a\u3058\u3066\u3001\u3053\u308c\u3089\u306e\u30e2\u30c7\u30eb\u306f\u8fc5\u901f\u306b\u5fc5\u8981\u306a\u60c5\u5831\u3092\u63d0\u4f9b\u3059\u308b\u3053\u3068\u304c\u3067\u304d\u307e\u3059\u3002<\/p>\n<p><img loading=\"lazy\" decoding=\"async\" class=\"wp-image-12806 aligncenter\" src=\"https:\/\/www.ecomottblog.com\/cmswp\/wp-content\/uploads\/2024\/04\/smiles-2-1024x575.png\" alt=\"\" width=\"682\" height=\"383\" srcset=\"https:\/\/www.ecomottblog.com\/wp-content\/uploads\/2024\/04\/smiles-2-1024x575.png 1024w, https:\/\/www.ecomottblog.com\/wp-content\/uploads\/2024\/04\/smiles-2-300x168.png 300w, https:\/\/www.ecomottblog.com\/wp-content\/uploads\/2024\/04\/smiles-2-768x431.png 768w, https:\/\/www.ecomottblog.com\/wp-content\/uploads\/2024\/04\/smiles-2-304x171.png 304w, https:\/\/www.ecomottblog.com\/wp-content\/uploads\/2024\/04\/smiles-2-282x158.png 282w, https:\/\/www.ecomottblog.com\/wp-content\/uploads\/2024\/04\/smiles-2.png 1136w\" sizes=\"(max-width: 682px) 100vw, 682px\" \/><\/p>\n<h4>\u56f3 1. SMILES\u306e\u6982\u5ff5\u306e\u30a4\u30e9\u30b9\u30c8\u30ec\u30fc\u30b7\u30e7\u30f3<\/h4>\n<h1>LLM<\/h1>\n<p>Guo et al. (2023)\u306e\u7814\u7a76\u306b\u3088\u308b\u3068\u3001\u5316\u5b66\u5206\u91ce\u306e\u3044\u304f\u3064\u304b\u306e\u8ab2\u984c\u3067\u3001\u4eba\u6c17\u306e\u3042\u308b\u8a00\u8a9e\u30e2\u30c7\u30eb\uff08GPT-4\u3001GPT-3.5\u3001Davinci-003\u3001LLama\u3001Galactica\uff09\u304c\u8a55\u4fa1\u3055\u308c\u307e\u3057\u305f\u3002\u3053\u306e\u7814\u7a76\u7d50\u679c\u304b\u3089\u3001\u3053\u308c\u3089\u306e\u30e2\u30c7\u30eb\u306f\u5206\u5b50\u306eSMILES\u6587\u5b57\u5217\u3092\u6df1\u304f\u7406\u89e3\u3059\u308b\u5fc5\u8981\u304c\u3042\u308b\u8ab2\u984c\uff08\u4f8b\u3048\u3070\u3001\u53cd\u5fdc\u4e88\u6e2c\u3001\u5408\u6210\u8a08\u753b\u3001\u5316\u5408\u7269\u540d\u306e\u4e88\u6e2c\u306a\u3069\uff09\u306b\u306f\u5411\u3044\u3066\u3044\u306a\u3044\u3053\u3068\u304c\u308f\u304b\u308a\u307e\u3057\u305f\u3002\u3057\u304b\u3057\u3001\u53cd\u5fdc\u53ce\u7387\u306e\u4e88\u6e2c\u3084\u8a66\u85ac\u306e\u9078\u629e\u3068\u3044\u3063\u305f\u8ab2\u984c\u3067\u306f\u6bd4\u8f03\u7684\u826f\u3044\u6210\u679c\u3092\u793a\u3057\u3066\u3044\u307e\u3059\u3002\u307e\u305f\u3001\u3053\u306e\u7814\u7a76\u3067Guo\u3089\u304c\u5c0e\u5165\u3057\u305f\u65b0\u3057\u3044\u30d7\u30ed\u30f3\u30d7\u30c8\u30c6\u30f3\u30d7\u30ec\u30fc\u30c8\u304c\u6ce8\u76ee\u3055\u308c\u3066\u304a\u308a\u3001\u3053\u308c\u306fDong et al. (2023)\u306e\u7814\u7a76\u3067\u63d0\u6848\u3055\u308c\u305f\u6587\u8108\u5185\u5b66\u7fd2\u30a2\u30d7\u30ed\u30fc\u30c1\u306b\u57fa\u3065\u3044\u3066\u304a\u308a\u3001\u56f32\u306b\u793a\u3055\u308c\u3066\u3044\u307e\u3059\u3002<\/p>\n<p><img loading=\"lazy\" decoding=\"async\" class=\"wp-image-12629 aligncenter\" src=\"https:\/\/www.ecomottblog.com\/cmswp\/wp-content\/uploads\/2024\/03\/prompt-1024x450.png\" alt=\"\" width=\"703\" height=\"309\" srcset=\"https:\/\/www.ecomottblog.com\/wp-content\/uploads\/2024\/03\/prompt-1024x450.png 1024w, https:\/\/www.ecomottblog.com\/wp-content\/uploads\/2024\/03\/prompt-300x132.png 300w, https:\/\/www.ecomottblog.com\/wp-content\/uploads\/2024\/03\/prompt-768x338.png 768w, https:\/\/www.ecomottblog.com\/wp-content\/uploads\/2024\/03\/prompt-304x134.png 304w, https:\/\/www.ecomottblog.com\/wp-content\/uploads\/2024\/03\/prompt-282x124.png 282w, https:\/\/www.ecomottblog.com\/wp-content\/uploads\/2024\/03\/prompt.png 1214w\" sizes=\"(max-width: 703px) 100vw, 703px\" \/><\/p>\n<h4>\u56f32.\u300c\u5316\u5b66\u53cd\u5fdc\u4e88\u6e2c\u300d\u306e\u305f\u3081\u306e\u30d7\u30ed\u30f3\u30d7\u30c8\u306e\u4f8b\u304c\u793a\u3055\u308c\u3066\u3044\u307e\u3059\uff08Yu et al., 2024\uff09\u3002\u3053\u306e\u30d7\u30ed\u30f3\u30d7\u30c8\u306f\u3001Guo et al. (2023)\u304c\u63d0\u6848\u3057\u305f\u30c6\u30f3\u30d7\u30ec\u30fc\u30c8\u306b\u57fa\u3065\u3044\u3066\u4f5c\u3089\u308c\u3066\u3044\u307e\u3059\u3002\u3053\u306e\u30c6\u30f3\u30d7\u30ec\u30fc\u30c8\u306f5\u3064\u306e\u90e8\u5206\u304b\u3089\u6210\u308a\u7acb\u3063\u3066\u304a\u308a\u3001\u4e2d\u3067\u3082\u7279\u306b\u91cd\u8981\u306a\u306e\u304c\u300c\u6587\u8108\u5185\u5b66\u7fd2\uff08ICL\uff09\u300d\u3067\u3059\u3002\u6587\u8108\u5185\u5b66\u7fd2\u90e8\u5206\u306b\u306f\u3001\u30bf\u30b9\u30af\u3092\u3069\u306e\u3088\u3046\u306b\u9032\u3081\u308b\u304b\u3092\u793a\u3059\u5177\u4f53\u7684\u306a\u4f8b\u304c\u542b\u307e\u308c\u3066\u3044\u307e\u3059\u3002<\/h4>\n<h4>\u8868\uff11. \u5316\u5b66\u5408\u6210\u306b\u304a\u3051\u308b LLM \u30a2\u30d7\u30ea\u30b1\u30fc\u30b7\u30e7\u30f3\u3078\u306e\u30a2\u30d7\u30ed\u30fc\u30c1\u306e\u4f8b<\/h4>\n<p><img loading=\"lazy\" decoding=\"async\" class=\"wp-image-12809 aligncenter\" src=\"https:\/\/www.ecomottblog.com\/cmswp\/wp-content\/uploads\/2024\/04\/table_1-1024x284.png\" alt=\"\" width=\"847\" height=\"235\" srcset=\"https:\/\/www.ecomottblog.com\/wp-content\/uploads\/2024\/04\/table_1-1024x284.png 1024w, https:\/\/www.ecomottblog.com\/wp-content\/uploads\/2024\/04\/table_1-300x83.png 300w, https:\/\/www.ecomottblog.com\/wp-content\/uploads\/2024\/04\/table_1-768x213.png 768w, https:\/\/www.ecomottblog.com\/wp-content\/uploads\/2024\/04\/table_1-304x84.png 304w, https:\/\/www.ecomottblog.com\/wp-content\/uploads\/2024\/04\/table_1-282x78.png 282w, https:\/\/www.ecomottblog.com\/wp-content\/uploads\/2024\/04\/table_1.png 1829w\" sizes=\"(max-width: 847px) 100vw, 847px\" \/><br \/>\n\u6709\u6a5f\u5408\u6210\u306b\u304a\u3051\u308b\u7279\u5b9a\u306e\u8ab2\u984c\u3001\u4f8b\u3048\u3070\u5206\u5b50\u306eSMILES\u8868\u8a18\u306e\u7406\u89e3\u306b\u304a\u3044\u3066\u3001\u5927\u898f\u6a21\u8a00\u8a9e\u30e2\u30c7\u30eb\uff08LLM\uff09\u304c\u76f4\u9762\u3059\u308b\u554f\u984c\u306f\u3001\u7814\u7a76\u8005\u305f\u3061\u304c\u3088\u308a\u826f\u3044\u6210\u679c\u3092\u9054\u6210\u3059\u308b\u305f\u3081\u306e\u65b0\u3057\u3044\u30a2\u30d7\u30ed\u30fc\u30c1\u3092\u63a2\u308b\u304d\u3063\u304b\u3051\u3068\u306a\u308a\u307e\u3057\u305f\u3002\u88681\u3067\u306f\u3001\u305d\u306e\u3088\u3046\u306a\u53d6\u308a\u7d44\u307f\u306e\u4f8b\u304c\u793a\u3055\u308c\u3066\u304a\u308a\u3001\u3053\u308c\u306b\u306f\u5927\u898f\u6a21\u8a00\u8a9e\u30e2\u30c7\u30eb\u306e\u30d5\u30a1\u30a4\u30f3\u30c1\u30e5\u30fc\u30cb\u30f3\u30b0\u3001\u30a4\u30f3\u30bf\u30fc\u30cd\u30c3\u30c8\u3084\u6587\u732e\u306e\u691c\u7d22\u3001\u5316\u5b66\u5c02\u9580\u306e\u30c4\u30fc\u30eb\u306e\u4f7f\u7528\u3068\u3044\u3063\u305f\u6f5c\u5728\u7684\u306a\u89e3\u6c7a\u7b56\u304c\u542b\u307e\u308c\u3066\u3044\u307e\u3059\u3002\u3053\u308c\u3089\u306e\u89e3\u6c7a\u7b56\u306f\u3001\u5316\u5b66\u306e\u5206\u91ce\u306b\u7279\u5316\u3057\u3066\u3044\u308b\u3082\u306e\u306e\u3001\u4ed6\u306e\u5206\u91ce\u3067\u306e\u5927\u898f\u6a21\u8a00\u8a9e\u30e2\u30c7\u30eb\u306e\u9069\u7528\u306b\u3082\u624b\u6cd5\u3068\u3057\u3066\u5fdc\u7528\u53ef\u80fd\u3067\u3042\u308b\u3053\u3068\u3092\u7406\u89e3\u3059\u308b\u3053\u3068\u304c\u91cd\u8981\u3067\u3059\u3002<\/p>\n<h1>LlaSMol<\/h1>\n<p>Yu et al.\uff082024\u5e74\uff09\u306b\u3088\u308b\u7814\u7a76\u3067\u306f\u3001\u5927\u898f\u6a21\u8a00\u8a9e\u30e2\u30c7\u30eb\uff08LLM\uff09\u306e\u30d5\u30a1\u30df\u30ea\u30fc\u3067\u3042\u308b\u300cLlaSMol\u300d\uff08Large language models on small molecules\uff09\u304c\u958b\u767a\u3055\u308c\u307e\u3057\u305f\u3002\u3053\u308c\u306f\u3001\u65e2\u5b58\u306eLLM\uff08\u88682\u3092\u53c2\u7167\u3057\u3066\u304f\u3060\u3055\u3044\uff09\u3092\u5316\u5b66\u30bf\u30b9\u30af\u306b\u7279\u5316\u3059\u308b\u3088\u3046\u5fae\u8abf\u6574(\u30d5\u30a1\u30a4\u30f3\u30c1\u30e5\u30fc\u30cb\u30f3\u30b0)\u3057\u305f\u3082\u306e\u3067\u3059\u3002\u3053\u306e\u5fae\u8abf\u6574\u306e\u305f\u3081\u306b\u3001\u65b0\u3057\u3044\u5927\u898f\u6a21\u306a\u30d5\u30a1\u30a4\u30f3\u30c1\u30e5\u30fc\u30cb\u30f3\u30b0\u30c7\u30fc\u30bf\u30bb\u30c3\u30c8\u300cSMolInstruct\u300d\u304c\u4f5c\u6210\u3055\u308c\u307e\u3057\u305f\u3002SMolInstruct\u306b\u306f\u5408\u8a0814\u306e\u5316\u5b66\u30bf\u30b9\u30af\u304c\u542b\u307e\u308c\u3066\u304a\u308a\u3001\u3053\u308c\u3089\u306f\u4ee5\u4e0b\u306e4\u3064\u306e\u30ab\u30c6\u30b4\u30ea\u30fc\u306b\u5206\u985e\u3055\u308c\u3066\u3044\u307e\u3059\uff08\u56f33\u3082\u53c2\u7167\u3057\u3066\u304f\u3060\u3055\u3044\uff09\uff1a<br \/>\n1. \u540d\u524d\u5909\u63db\uff1a\u5316\u5408\u7269\u306e\u540d\u524d\u304b\u3089SMILES\u8868\u8a18\u3092\u898b\u3064\u3051\u308b\u3053\u3068\u3002<br \/>\n2. \u5206\u5b50\u306e\u8aac\u660e\uff1a\u5206\u5b50\u306b\u3064\u3044\u3066\u306e\u8aac\u660e\u3092\u63d0\u4f9b\u3059\u308b\u304b\u3001\u8aac\u660e\u306b\u57fa\u3065\u3044\u3066\u5206\u5b50\u3092\u63d0\u6848\u3059\u308b\u3053\u3068\u3002<br \/>\n3. \u5206\u5b50\u306e\u6027\u8cea\u4e88\u6e2c\uff1a\u4e0e\u3048\u3089\u308c\u305f\u5206\u5b50\u306e\u6027\u8cea\u3092\u4e88\u6e2c\u3059\u308b\u3053\u3068\u3002<br \/>\n4. \u5316\u5b66\u53cd\u5fdc\u306e\u8a08\u753b\uff1a\u57fa\u8cea\u304b\u3089\u53cd\u5fdc\u751f\u6210\u7269\u3092\u4e88\u6e2c\u3059\u308b\u304b\u3001\u7279\u5b9a\u306e\u751f\u6210\u7269\u3092\u5f97\u308b\u305f\u3081\u306b\u5fc5\u8981\u306a\u57fa\u8cea\u3092\u63d0\u6848\u3059\u308b\u3053\u3068\u3002<\/p>\n<h4>\u88682.\u5316\u5b66\u30bf\u30b9\u30af\u306b\u7279\u5316\u3059\u308b\u3088\u3046\u30d5\u30a1\u30a4\u30f3\u30c1\u30e5\u30fc\u30cb\u30f3\u30b0\u3055\u308c\u305fLLM (LlaSMol\u30e2\u30c7\u30eb)<\/h4>\n<p><img loading=\"lazy\" decoding=\"async\" class=\"wp-image-12813 aligncenter\" src=\"https:\/\/www.ecomottblog.com\/cmswp\/wp-content\/uploads\/2024\/04\/table_2-1024x397.png\" alt=\"\" width=\"727\" height=\"282\" srcset=\"https:\/\/www.ecomottblog.com\/wp-content\/uploads\/2024\/04\/table_2-1024x397.png 1024w, https:\/\/www.ecomottblog.com\/wp-content\/uploads\/2024\/04\/table_2-300x116.png 300w, https:\/\/www.ecomottblog.com\/wp-content\/uploads\/2024\/04\/table_2-768x297.png 768w, https:\/\/www.ecomottblog.com\/wp-content\/uploads\/2024\/04\/table_2-304x118.png 304w, https:\/\/www.ecomottblog.com\/wp-content\/uploads\/2024\/04\/table_2-282x109.png 282w, https:\/\/www.ecomottblog.com\/wp-content\/uploads\/2024\/04\/table_2.png 1038w\" sizes=\"(max-width: 727px) 100vw, 727px\" \/><\/p>\n<p>Yu et al.\uff082024\u5e74\uff09\u306b\u3088\u308b\u5b9f\u9a13\u3067\u306f\u3001LlaSMol\u30e2\u30c7\u30eb\u304c\u3001\u7279\u5b9a\u306e\u30bf\u30b9\u30af\u306b\u304a\u3044\u3066\u6700\u5148\u7aef\u306e\u4ed6\u306e\u30e2\u30c7\u30eb\uff08\u975eLLM\u30d9\u30fc\u30b9\uff09\u3068\u540c\u7b49\u306e\u6027\u80fd\u3092\u767a\u63ee\u3059\u308b\u3053\u3068\u304c\u793a\u3055\u308c\u307e\u3057\u305f\u3002\u307e\u305f\u3001\u30d5\u30a1\u30a4\u30f3\u30c1\u30e5\u30fc\u30cb\u30f3\u30b0\u3055\u308c\u3066\u3044\u306a\u3044LLM\u306b\u6bd4\u3079\u3066\u3082\u3001LlaSMol\u306f\u3088\u308a\u512a\u308c\u305f\u6027\u80fd\u3092\u793a\u3057\u307e\u3057\u305f\u3002\u7279\u306b\u6ce8\u76ee\u3059\u3079\u304d\u306f\u3001LlaSMol\u30e2\u30c7\u30eb\u306e\u6027\u80fd\u304c\u3001\u30d5\u30a1\u30a4\u30f3\u30c1\u30e5\u30fc\u30cb\u30f3\u30b0\u306b\u7528\u3044\u3089\u308c\u305fLLM\u306e\u7a2e\u985e\u306b\u5927\u304d\u304f\u4f9d\u5b58\u3057\u3066\u3044\u308b\u3053\u3068\u304c\u660e\u3089\u304b\u306b\u306a\u3063\u305f\u70b9\u3067\u3059\u3002\u305f\u3068\u3048\u3070\u3001\u30d7\u30ed\u30b0\u30e9\u30df\u30f3\u30b0\u8a00\u8a9e\u306b\u95a2\u3059\u308b\u77e5\u8b58\u3092\u6301\u3064CodeLlama\u3092\u57fa\u306b\u3057\u305fLlaSMolCodeLlama\u306f\u3001LlaSMolLlama2\u3088\u308a\u3082\u9855\u8457\u306b\u512a\u308c\u305f\u6027\u80fd\u3092\u793a\u3057\u3066\u3044\u307e\u3059\u3002\u3053\u306e\u5dee\u306f\u3001CodeLlama\u306e\u30d7\u30ed\u30b0\u30e9\u30df\u30f3\u30b0\u8a00\u8a9e\u306e\u77e5\u8b58\u304c\u3001\u5206\u5b50\u8868\u73fe\u306e\u305f\u3081\u306e\u30b3\u30fc\u30c7\u30a3\u30f3\u30b0\u8a00\u8a9e\u3067\u3042\u308bSMILES\u3068\u306e\u76f8\u4e57\u52b9\u679c\u3092\u751f\u3093\u3067\u3044\u308b\u3068Yu et al.\u306f\u6307\u6458\u3057\u3066\u3044\u307e\u3059\u3002\u307e\u305f\u3001LlaSMolGalactica\u304c\u4ed6\u306e\u30e2\u30c7\u30eb\u3088\u308a\u512a\u308c\u3066\u3044\u308b\u7406\u7531\u306f\u3001Galactica\u304c\u5316\u5b66\u95a2\u9023\u306e\u6587\u732e\u3067\u4e8b\u524d\u306b\u30c8\u30ec\u30fc\u30cb\u30f3\u30b0\u3055\u308c\u3066\u3044\u305f\u305f\u3081\u3067\u3059\u3002<\/p>\n<p><img loading=\"lazy\" decoding=\"async\" class=\"wp-image-12631 aligncenter\" src=\"https:\/\/www.ecomottblog.com\/cmswp\/wp-content\/uploads\/2024\/03\/NC-1024x427.png\" alt=\"\" width=\"825\" height=\"344\" srcset=\"https:\/\/www.ecomottblog.com\/wp-content\/uploads\/2024\/03\/NC-1024x427.png 1024w, https:\/\/www.ecomottblog.com\/wp-content\/uploads\/2024\/03\/NC-300x125.png 300w, https:\/\/www.ecomottblog.com\/wp-content\/uploads\/2024\/03\/NC-768x320.png 768w, https:\/\/www.ecomottblog.com\/wp-content\/uploads\/2024\/03\/NC-304x127.png 304w, https:\/\/www.ecomottblog.com\/wp-content\/uploads\/2024\/03\/NC-282x118.png 282w, https:\/\/www.ecomottblog.com\/wp-content\/uploads\/2024\/03\/NC.png 1256w\" sizes=\"(max-width: 825px) 100vw, 825px\" \/><\/p>\n<h4>\u56f33.\u5927\u898f\u6a21\u8a00\u8a9e\u30e2\u30c7\u30eb\uff08LLM\uff09\u304c\u884c\u3046\u3053\u3068\u304c\u3067\u304d\u308b\u6700\u3082\u57fa\u672c\u7684\u306a\u30bf\u30b9\u30af\u306e\u4e00\u3064\u3067\u3042\u308b\u540d\u524d\u5909\u63db\u3092\u793a\u3057\u3066\u3044\u307e\u3059\u3002\u3053\u306e\u56f3\u3067\u306f\u3001SMolInstruct\u30c7\u30fc\u30bf\u30bb\u30c3\u30c8\u304b\u3089\u9078\u3070\u308c\u305f\u540d\u524d\u5909\u63db\u30bf\u30b9\u30af\u306e\u4f8b\u3092\u7528\u3044\u3066\u3001\u3053\u306e\u554f\u984c\u3092\u89e3\u8aac\u3057\u3066\u3044\u307e\u3059\u3002\u30c7\u30fc\u30bf\u30bb\u30c3\u30c8\u3067\u63d0\u4f9b\u3055\u308c\u308b\u6b63\u89e3\u3068\u3068\u3082\u306b\u3001\u56f3\u3067\u306fGPT-4\uff08\u30d5\u30a1\u30a4\u30f3\u30c1\u30e5\u30fc\u30cb\u30f3\u30b0\u306a\u3057\uff09\u3092\u4f7f\u7528\u3057\u3066\u5f97\u3089\u308c\u305f\u56de\u7b54\u3082\u63b2\u8f09\u3055\u308c\u3066\u3044\u307e\u3059\u3002\u4f8b\u793a\u3055\u308c\u3066\u3044\u308b\u30b1\u30fc\u30b9\u3067\u306f\u3001\u5316\u5408\u7269\u540d\u3067\u306f\u306a\u304fSMILES\u8868\u8a18\u3092\u6271\u3046\u5fc5\u8981\u304c\u3042\u308a\u3001GPT-4\u306f\u6b63\u78ba\u306a\u56de\u7b54\u3092\u63d0\u4f9b\u3067\u304d\u3066\u3044\u307e\u305b\u3093\u3067\u3057\u305f\u3002\u3057\u304b\u3057\u3001\u30a4\u30f3\u30bf\u30fc\u30cd\u30c3\u30c8\u306e\u60c5\u5831\u3092\u6d3b\u7528\u3059\u308b\u3053\u3068\u3067\u3001GPT-4\u306e\u7d50\u679c\u306f\u6539\u5584\u3055\u308c\u308b\u3053\u3068\u304c\u793a\u3055\u308c\u3066\u3044\u307e\u3059\u3002<\/h4>\n<h1>Coscientist<\/h1>\n<p>\u6700\u8fd1\u306e\u7814\u7a76\u52d5\u5411\u306b\u306f\u3001\u69d8\u3005\u306a\u7269\u8cea\u306e\u53d6\u5f97\u30d7\u30ed\u30bb\u30b9\u3092\u5b8c\u5168\u306b\u81ea\u52d5\u5316\u3059\u308b\u8a66\u307f\u306b\u5bfe\u3059\u308b\u95a2\u5fc3\u304c\u9ad8\u307e\u3063\u3066\u3044\u307e\u3059\u3002\u3053\u308c\u3089\u306e\u53d6\u308a\u7d44\u307f\u306e\u76ee\u6a19\u306f\u3001\u5408\u6210\u30eb\u30fc\u30c8\u306e\u8a08\u753b\u3084\u65b0\u3057\u3044\u5206\u5b50\u306e\u958b\u767a\u306e\u6bb5\u968e\u3060\u3051\u3067\u306a\u304f\u3001\u751f\u7523\u30d7\u30ed\u30bb\u30b9\u3084\u5b9f\u9a13\u306e\u5b9f\u884c\u306b\u304a\u3044\u3066\u3082\u4eba\u9593\u306e\u4ecb\u5165\u3092\u6392\u9664\u3059\u308b\u3053\u3068\u3067\u3059\u3002\u4f8b\u3048\u3070\u3001\u30ed\u30dc\u30c3\u30c8\u306b\u3088\u3063\u3066\u884c\u308f\u308c\u308b\u5b9f\u9a13\u306f\u3088\u308a\u53b3\u5bc6\u306b\u5236\u5fa1\u3055\u308c\u3001\u5f97\u3089\u308c\u308b\u7d50\u679c\u306f\u518d\u73fe\u6027\u304c\u9ad8\u304f\u89e3\u91c8\u3082\u3057\u3084\u3059\u304f\u306a\u308a\u307e\u3059\u3002\u3053\u306e\u30a2\u30d7\u30ed\u30fc\u30c1\u306e\u4e00\u4f8b\u304c\u3001Coscientist\u30d7\u30ed\u30b8\u30a7\u30af\u30c8\uff08Boiko et al.\u30012023\uff09\u3067\u793a\u3055\u308c\u3066\u3044\u307e\u3059\u3002<\/p>\n<p>Coscientist\u30e2\u30c7\u30eb\u306f\u3001\u4ee5\u4e0b\u306e\u3088\u3046\u306a\u4e3b\u8981\u306a\u30bf\u30b9\u30af\u3092\u5b9f\u884c\u3067\u304d\u307e\u3059\uff1a<br \/>\n1. \u30a4\u30f3\u30bf\u30fc\u30cd\u30c3\u30c8\u4e0a\u306e\u30c7\u30fc\u30bf\u3092\u5229\u7528\u3057\u3066\u5316\u5408\u7269\u306e\u5316\u5b66\u5408\u6210\u3092\u8a08\u753b\u3059\u308b\u3002<br \/>\n2. \u4ee5\u524d\u306b\u53ce\u96c6\u3055\u308c\u305f\u5b9f\u9a13\u30c7\u30fc\u30bf\u3092\u5206\u6790\u3057\u3001\u5408\u6210\u3092\u6700\u9069\u5316\u3059\u308b\u3002<br \/>\n3. \u5e45\u5e83\u3044\u30cf\u30fc\u30c9\u30a6\u30a7\u30a2\u306b\u95a2\u3059\u308b\u6587\u66f8\u3092\u691c\u7d22\u3059\u308b\u3002<br \/>\n4. \u30af\u30e9\u30a6\u30c9\u30d9\u30fc\u30b9\u306e\u30e9\u30dc\u3067\u30b3\u30de\u30f3\u30c9\u3092\u5b9f\u884c\u3059\u308b\u305f\u3081\u306e\u6587\u66f8\u3092\u4f7f\u7528\u3059\u308b\u3002<br \/>\n5. \u8907\u96d1\u306a\u79d1\u5b66\u7684\u30bf\u30b9\u30af\u3092\u5b9f\u884c\u3059\u308b\uff08\u69d8\u3005\u306a\u30cf\u30fc\u30c9\u30a6\u30a7\u30a2\u30e2\u30b8\u30e5\u30fc\u30eb\u3092\u540c\u6642\u306b\u4f7f\u7528\u3057\u3001\u591a\u69d8\u306a\u30c7\u30fc\u30bf\u30bd\u30fc\u30b9\u3092\u7d71\u5408\u3059\u308b\uff09\u3002<\/p>\n<p>Coscientist\u306e\u6838\u3068\u306a\u308b\u306e\u306f\u3001GPT-4\u3092\u57fa\u306b\u3057\u305f\u30c1\u30e3\u30c3\u30c8\u30d7\u30e9\u30f3\u30ca\u30fc\u3067\u3001\u3053\u308c\u304c\u30a2\u30b7\u30b9\u30bf\u30f3\u30c8\u3068\u3057\u3066\u6a5f\u80fd\u3057\u307e\u3059\u3002\u3053\u306e\u30d7\u30e9\u30f3\u30ca\u30fc\u306f\u4eba\u9593\u306e\u30e6\u30fc\u30b6\u30fc\u304b\u3089\u306e\u6307\u793a\u3092\u53d7\u3051\u53d6\u308a\u3001\u30a6\u30a7\u30d6\u691c\u7d22\u3084\u6587\u66f8\u691c\u7d22\u3001\u30b3\u30fc\u30c9\u5b9f\u884c\u3001\u81ea\u52d5\u5316\u30e2\u30b8\u30e5\u30fc\u30eb\u3092\u5236\u5fa1\u3057\u307e\u3059\u3002\u30a6\u30a7\u30d6\u691c\u7d22\u3068\u6587\u66f8\u691c\u7d22\u306f\u3001\u30a4\u30f3\u30bf\u30fc\u30cd\u30c3\u30c8\u3084\u6587\u66f8\u304b\u3089\u60c5\u5831\u3092\u53ce\u96c6\u3059\u308b\u305f\u3081\u306b\u5225\u306eLLM\uff08\u4f8b\uff1asearch-gpt-4\uff09\u3092\u4f7f\u7528\u3057\u307e\u3059\u3002\u4e00\u65b9\u3001\u81ea\u52d5\u5316\u30e2\u30b8\u30e5\u30fc\u30eb\u306f\u3001\u30ed\u30dc\u30c3\u30c8\u306a\u3069\u306e\u7269\u7406\u7684\u306a\u30cf\u30fc\u30c9\u30a6\u30a7\u30a2\u3068\u901a\u4fe1\u3059\u308b\u305f\u3081\u306b\u7528\u3044\u3089\u308c\u307e\u3059\u3002\u3053\u308c\u3089\u306e\u30bf\u30b9\u30af\u306f\u3001ReAct\u3084Chain of Thought\u3001Tree of Thoughts\u306a\u3069\u306e\u9ad8\u5ea6\u306a\u30d7\u30ed\u30f3\u30d7\u30c6\u30a3\u30f3\u30b0\u6226\u7565\u3092\u6d3b\u7528\u3057\u3066\u5b9f\u884c\u3055\u308c\u307e\u3059\u304c\u3001\u30e6\u30fc\u30b6\u30fc\u304b\u3089Coscientist\u3078\u306e\u5165\u529b\u306f\u300c\u8907\u6570\u306e\u30b9\u30ba\u30ad\u53cd\u5fdc\u3092\u5b9f\u884c\u3059\u308b\u300d\u3068\u3044\u3063\u305f\u5358\u7d14\u306a\u30c6\u30ad\u30b9\u30c8\u30d7\u30ed\u30f3\u30d7\u30c8\u3067\u3082\u5341\u5206\u3067\u3059\uff08Boiko et al.\u30012023\uff09\u3002<\/p>\n<h1>ChemCrow<\/h1>\n<p>ChemCrow\uff08Bran et al.\u30012023\uff09\u306f\u3001\u6709\u6a5f\u5408\u6210\u3001\u85ac\u7269\u958b\u767a\u3001\u6750\u6599\u767a\u898b\u306a\u3069\u306e\u5206\u91ce\u306b\u304a\u3051\u308b\u30bf\u30b9\u30af\u5411\u3051\u306b\u8a2d\u8a08\u3055\u308c\u305f\u5927\u898f\u6a21\u8a00\u8a9e\u30e2\u30c7\u30eb\uff08LLM\uff09\u30d9\u30fc\u30b9\u306e\u30a8\u30fc\u30b8\u30a7\u30f3\u30c8\u3067\u3059\u3002\u3053\u306e\u30e2\u30c7\u30eb\u306e\u6027\u80fd\u306f\u3001WebSearch\u3001Name2SMILES\u3001ReactionPlanner\u3001ControlledChemicalCheck\u306a\u3069\u300118\u7a2e\u985e\u306e\u5c02\u9580\u5bb6\u304c\u8a2d\u8a08\u3057\u305f\u5316\u5b66\u30c4\u30fc\u30eb\u3092\u7d71\u5408\u3059\u308b\u3053\u3068\u3067\u5411\u4e0a\u3057\u3066\u3044\u307e\u3059\u3002\u958b\u767a\u30c1\u30fc\u30e0\u306f\u3001\u5b9f\u9a13\u4e2d\u306bOpenAI\u306eGPT-4\u3092LangChain\u30d5\u30ec\u30fc\u30e0\u30ef\u30fc\u30af\u3068\u3068\u3082\u306b\u4f7f\u7528\u3057\u307e\u3057\u305f\u3002<\/p>\n<p>Coscientist\u30d7\u30ed\u30b8\u30a7\u30af\u30c8\u3068\u540c\u69d8\u306b\u3001ChemCrow\u3082\u7269\u7406\u7684\u306a\u4e16\u754c\u3068\u306e\u5bfe\u8a71\u3068\u81ea\u5f8b\u7684\u306a\u5b9f\u9a13\u3092\u884c\u3046\u3053\u3068\u3092\u76ee\u6307\u3057\u3066\u3044\u307e\u3059\u3002\u3053\u306e\u76ee\u6a19\u3092\u9054\u6210\u3059\u308b\u305f\u3081\u306b\u3001Bran et al.\uff082023\uff09\u306f\u30af\u30e9\u30a6\u30c9\u63a5\u7d9a\u3092\u5099\u3048\u305f\u30ed\u30dc\u30c6\u30a3\u30c3\u30af\u5408\u6210\u30d7\u30e9\u30c3\u30c8\u30d5\u30a9\u30fc\u30e0\u3078\u306e\u63a5\u7d9a\u306b\u3064\u3044\u3066\u7814\u7a76\u3092\u884c\u3044\u307e\u3057\u305f\u3002\u307e\u305f\u3001\u8ad6\u6587\u3067\u306fChemCrow\u306b\u3088\u3063\u3066\u6210\u529f\u88cf\u306b\u884c\u308f\u308c\u305f\u3044\u304f\u3064\u304b\u306e\u5316\u5b66\u5408\u6210\u306e\u4f8b\u304c\u7d39\u4ecb\u3055\u308c\u3066\u3044\u307e\u3059\u3002<\/p>\n<h1>\u307e\u3068\u3081<\/h1>\n<p>\u5927\u898f\u6a21\u8a00\u8a9e\u30e2\u30c7\u30eb\uff08LLM\uff09\u3092\u5316\u5b66\u5408\u6210\u306b\u4f7f\u7528\u3059\u308b\u3053\u3068\u306f\u3001\u5927\u3044\u306b\u6709\u671b\u3067\u3042\u308b\u3068\u8003\u3048\u3089\u308c\u3066\u3044\u307e\u3059\u3002\u305f\u3060\u3057\u3001\u3053\u308c\u3089\u306e\u30e2\u30c7\u30eb\u306f\u5316\u5b66\u306e\u30a2\u30d7\u30ea\u30b1\u30fc\u30b7\u30e7\u30f3\u306b\u5408\u308f\u305b\u3066\u9069\u5fdc\u3055\u305b\u308b\u5fc5\u8981\u304c\u3042\u308a\u307e\u3059\u3002\u3053\u306e\u9069\u5fdc\u306f\u3001\u30e2\u30c7\u30eb\u306e\u30d5\u30a1\u30a4\u30f3\u30c1\u30e5\u30fc\u30cb\u30f3\u30b0\u3084\u3001\u30a4\u30f3\u30bf\u30fc\u30cd\u30c3\u30c8\u304a\u3088\u3073\u6587\u732e\u3078\u306e\u30a2\u30af\u30bb\u30b9\u306e\u5411\u4e0a\u3001\u307e\u305f\u306f\u5c02\u9580\u5bb6\u304c\u8a2d\u8a08\u3057\u305f\u30c4\u30fc\u30eb\u306e\u6d3b\u7528\u3092\u901a\u3058\u3066\u9054\u6210\u3059\u308b\u3053\u3068\u304c\u53ef\u80fd\u3067\u3059\u3002<\/p>\n<p>\u5c06\u6765\u7684\u306b\u306f\u3001\u5927\u898f\u6a21\u8a00\u8a9e\u30e2\u30c7\u30eb\u304c\u6709\u6a5f\u5408\u6210\u306e\u8a08\u753b\u904e\u7a0b\u3092\u5927\u5e45\u306b\u6539\u5584\u3059\u308b\u3068\u671f\u5f85\u3055\u308c\u3066\u3044\u307e\u3059\u3002\u3053\u308c\u306b\u3088\u308a\u3001\u5b9f\u9a13\u3084\u751f\u7523\u306e\u904e\u7a0b\u3092\u3088\u308a\u52b9\u7387\u7684\u306b\u3001\u304b\u3064\u72ec\u7acb\u3057\u3066\u76e3\u8996\u3059\u308b\u80fd\u529b\u3092\u6301\u3064\u3053\u3068\u304c\u3067\u304d\u308b\u3088\u3046\u306b\u306a\u308b\u3067\u3057\u3087\u3046\u3002<\/p>\n<h1>\u6587\u732e<\/h1>\n<h3>\u8ad6\u6587:<\/h3>\n<p>Boiko D. A., MacKnight R., Kline B., Gomes G. (2023): Autonomous chemical research with large language models, Nature, Vol 624, 21\/28 December 2023<br \/>\nBran A. M., Cox S., Schilter O., Baldassari C., White A. D., Schwaller Ph. (2023): Augmenting large language models with chemistry tools, arXiv:2304.05376v5<br \/>\nDong Q., Li L., Dai D., Zheng C., Wu Zh., Chang B., Sun X., Xu J., Li L., and Sui Zh. (2023): A survey on in-context learning, arXiv:2301.00234<br \/>\nGuo T., Guo K., Nan B., Liang Zh., Guo Zh., Chawla N. V., Wiest O., Zhang X. (2023): What can Large Language Models do in chemistry? A comprehensive benchmark on eight tasks, arXiv:2305.18365v3<br \/>\nYu B., Baker F. N., Chen Z., Ning X., Sun H. (2024): LlaSMol: Advancing Large Language Models for Chemistry with a Large-Scale, Comprehensive, High-Quality Instruction Tuning Dataset, arXiv:2402.09391v2<\/p>\n<h3>\u30a6\u30a7\u30d6\u30b5\u30a4\u30c8:<\/h3>\n<p>ChemCrow: https:\/\/github.com\/ur-whitelab\/chemcrow-public<br \/>\nCoscientist: https:\/\/github.com\/gomesgroup\/coscientist\/blob\/main\/synthesis_capabilities\/labels.csv<br \/>\nLlaSMol: https:\/\/github.com\/OSU-NLP-Group\/LLM4Chem<br \/>\nRDKiT: https:\/\/www.rdkit.org\/docs\/index.html<\/p>\n","protected":false},"excerpt":{"rendered":"<p>\u3053\u3093\u306b\u3061\u306f\u3001\u30c7\u30fc\u30bf\u30a2\u30ca\u30ea\u30c6\u30a3\u30af\u30b9\u90e8\u306e\u30d5\u30d0\u30c1\u30fb\u30ed\u30d9\u30eb\u30c8\u3067\u3059\u3002\u6545\u90f7\u30dd\u30fc\u30e9\u30f3\u30c9\u3067\u306f\u65e2\u306b\u96ea\u304c\u6eb6\u3051\u3001\u65e5\u5897\u3057\u306b\u6696\u304b\u3055\u3092\u611f\u3058\u3089\u308c\u308b\u3088\u3046\u306b\u306a\u308a\u307e\u3057\u305f\u3002\u4ee5\u524d\u3001\u6709\u6a5f\u5316\u5408\u7269\u306e\u5408\u6210\u306b\u643a\u308f\u3063\u3066\u3044\u305f\u4f1a\u793e\u3067\u306e\u7d4c\u9a13\u304c\u601d\u3044\u8d77\u3053\u3055\u308c\u307e\u3059\u3002\u305d\u306e\u4f1a\u793e\u306f\u5b89\u5168\u3092\u8003 [&hellip;]<\/p>\n","protected":false},"author":104,"featured_media":0,"comment_status":"closed","ping_status":"closed","sticky":false,"template":"","format":"standard","meta":{"footnotes":""},"categories":[27],"tags":[169,186,200,189,193],"_links":{"self":[{"href":"https:\/\/www.ecomottblog.com\/index.php?rest_route=\/wp\/v2\/posts\/12777"}],"collection":[{"href":"https:\/\/www.ecomottblog.com\/index.php?rest_route=\/wp\/v2\/posts"}],"about":[{"href":"https:\/\/www.ecomottblog.com\/index.php?rest_route=\/wp\/v2\/types\/post"}],"author":[{"embeddable":true,"href":"https:\/\/www.ecomottblog.com\/index.php?rest_route=\/wp\/v2\/users\/104"}],"replies":[{"embeddable":true,"href":"https:\/\/www.ecomottblog.com\/index.php?rest_route=%2Fwp%2Fv2%2Fcomments&post=12777"}],"version-history":[{"count":37,"href":"https:\/\/www.ecomottblog.com\/index.php?rest_route=\/wp\/v2\/posts\/12777\/revisions"}],"predecessor-version":[{"id":12865,"href":"https:\/\/www.ecomottblog.com\/index.php?rest_route=\/wp\/v2\/posts\/12777\/revisions\/12865"}],"wp:attachment":[{"href":"https:\/\/www.ecomottblog.com\/index.php?rest_route=%2Fwp%2Fv2%2Fmedia&parent=12777"}],"wp:term":[{"taxonomy":"category","embeddable":true,"href":"https:\/\/www.ecomottblog.com\/index.php?rest_route=%2Fwp%2Fv2%2Fcategories&post=12777"},{"taxonomy":"post_tag","embeddable":true,"href":"https:\/\/www.ecomottblog.com\/index.php?rest_route=%2Fwp%2Fv2%2Ftags&post=12777"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}