{"id":3709,"date":"2023-07-11T15:20:40","date_gmt":"2023-07-11T06:20:40","guid":{"rendered":"https:\/\/www.waseda.jp\/pep\/?post_type=news&p=3709"},"modified":"2023-07-28T09:32:46","modified_gmt":"2023-07-28T00:32:46","slug":"3709","status":"publish","type":"news","link":"https:\/\/dpt-pep.w.waseda.jp\/en\/news\/3709\/","title":{"rendered":"\u3010\u30d7\u30ed\u30b0\u30e9\u30e0\u62c5\u5f53\u8005\u3011 \u7814\u7a76\u6210\u679c\u30d7\u30ec\u30b9\u30ea\u30ea\u30fc\u30b9\uff1a\u69cb\u9020\u76f8\u8ee2\u79fb\u306e\u767a\u73fe\u3092\u9ad8\u7cbe\u5ea6\u3067\u4e8b\u524d\u4e88\u6e2c\uff08\u65e9\u5927\u30fb\u671d\u65e5 \u900f\u6559\u6388\uff09"},"content":{"rendered":"

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 <\/p>\n

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\u3010\u767a\u8868\u306e\u30dd\u30a4\u30f3\u30c8\u3011<\/p>\n

\u25c6\u3053\u308c\u307e\u3067\u4e88\u6e2c\u306e\u96e3\u3057\u304b\u3063\u305f\u69cb\u9020\u76f8\u8ee2\u79fb\u306b\u3064\u3044\u3066\u3001\u6a5f\u68b0\u5b66\u7fd2\u306e\u4e00\u7a2e\u3067\u3042\u308bPositive-Unlabeled\u5b66\u7fd2\u306b\u3088\u308a\u76f8\u8ee2\u79fb\u3092\u8d77\u3053\u3059\u5206\u5b50\u3092\u52b9\u7387\u7684\u306b\u30b9\u30af\u30ea\u30fc\u30cb\u30f3\u30b0\u3059\u308b\u624b\u6cd5\u3092\u958b\u767a\u3057\u3001\u305d\u306e\u6709\u52b9\u6027\u3092\u691c\u8a3c\u3057\u307e\u3057\u305f\u3002<\/p>\n

\u25c6\u4e88\u6e2c\u3057\u305f\u5019\u88dc\u5206\u5b50\u306e\u3046\u3061\u7d04\uff18\uff05\u3067\u5b9f\u969b\u306b\u76f8\u8ee2\u79fb\u304c\u78ba\u8a8d\u3055\u308c\u307e\u3057\u305f\u3002\u3053\u308c\u306f\u3001\u6709\u6a5f\u56fa\u4f53\u306e\u7d50\u6676\u69cb\u9020\u30c7\u30fc\u30bf\u30d9\u30fc\u30b9\uff08CSD\uff09\u306b\u542b\u307e\u308c\u308b\u76f8\u8ee2\u79fb\u306e\u5831\u544a\u7387\u7d040.3\uff05\u3092\u5927\u304d\u304f\u4e0a\u56de\u308b\u6570\u5024\u3067\u3042\u308a\u3001\u5f93\u6765\u306e\u65b9\u6cd5\u3067\u306f\u3067\u304d\u306a\u304b\u3063\u305f\u69cb\u9020\u76f8\u8ee2\u79fb\u306e\u5927\u898f\u6a21\u30b9\u30af\u30ea\u30fc\u30cb\u30f3\u30b0\u304c\u53ef\u80fd\u306b\u306a\u308a\u307e\u3057\u305f\u3002<\/p>\n

\u25c6\u69cb\u9020\u76f8\u8ee2\u79fb\u306f\u84c4\u71b1\u6750\u6599\u3001\u5f37\u8a98\u96fb\u6750\u6599\u3001\u30a2\u30af\u30c1\u30e5\u30a8\u30fc\u30bf\u6750\u6599\u306a\u3069\u3067\u91cd\u8981\u306a\u73fe\u8c61\u3067\u3042\u308b\u305f\u3081\u3001\u6750\u6599\u5206\u91ce\u3092\u4e2d\u5fc3\u306b\u69d8\u3005\u306a\u5206\u91ce\u3067\u306e\u9069\u7528\u304c\u671f\u5f85\u3055\u308c\u307e\u3059\u3002<\/p>\n

\u203b1 DFT\u6cd5\uff1a<\/strong>\u5bc6\u5ea6\u6c4e\u95a2\u6570\u7406\u8ad6\uff08Density Functional Theory\uff09\u306b\u57fa\u3065\u304f\u7406\u8ad6\u8a08\u7b97\u306e\u624b\u6cd5\u3067\u3059\u3002\u4f7f\u7528\u3059\u308b\u57fa\u5e95\u95a2\u6570\u3084\u8a08\u7b97\u65b9\u6cd5\u306b\u3082\u3088\u308a\u307e\u3059\u304c\u4e00\u822c\u306b\u9ad8\u3044\u8a08\u7b97\u7cbe\u5ea6\u3092\u6c42\u3081\u308b\u969b\u306b\u7528\u3044\u307e\u3059\u3002\u9ad8\u3044\u8a08\u7b97\u7cbe\u5ea6\u3092\u6c42\u3081\u308b\u307b\u3069\u8a08\u7b97\u6642\u9593\u3082\u304b\u304b\u308a\u307e\u3059\u3002<\/p>\n

 <\/p>\n

\u672c\u7814\u7a76\u6210\u679c\u306f\u30012023\u5e746\u670822\u65e5\uff08\u6728\uff09\u306b\u82f1\u56fd\u306e\u738b\u7acb\u79d1\u5b66\u4f1a\u304c\u767a\u884c\u3059\u308b\u300eDigital Discovery\u300f\u8a8c\u306b\u3066\u901f\u5831\u7248\u3068\u3057\u3066\u30aa\u30f3\u30e9\u30a4\u30f3\u516c\u958b\u3055\u308c\u307e\u3057\u305f\u3002<\/p>\n

\u3010\u8ad6\u6587\u60c5\u5831\u3011
\n\u96d1\u8a8c\u540d\uff1aDigital Discovery
\n\u8ad6\u6587\u540d\uff1a Molecular screening for solid\u2013solid phase transition by machine learning<\/a><\/strong><\/p>\n

DOI<\/strong>\uff1a<\/strong> 10.1039\/D3DD00034F<\/p>\n

\u8a73\u3057\u304f\u306f\u3053\u3061\u3089\u3092\u3054\u89a7\u304f\u3060\u3055\u3044\u3002<\/p>\n

\u3010\u65e9\u7a32\u7530\u5927\u5b66HP\u3011<\/p>\n

https:\/\/www.waseda.jp\/top\/news\/91898<\/a><\/p>\n

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