{"id":4701,"date":"2023-09-21T09:00:08","date_gmt":"2023-09-21T00:00:08","guid":{"rendered":"http:\/\/www-dsc.naist.jp\/dsc_naist\/?p=4701"},"modified":"2025-08-19T11:04:13","modified_gmt":"2025-08-19T02:04:13","slug":"autumn_school2023","status":"publish","type":"post","link":"http:\/\/www-dsc.naist.jp\/dsc_naist\/autumn_school2023\/","title":{"rendered":"\u7b2c8\u56de\u30b1\u30e2\u30a4\u30f3\u30d5\u30a9\u30de\u30c6\u30a3\u30af\u30b9\u79cb\u306e\u5b66\u6821"},"content":{"rendered":"

8th Autumn School of Chemoinformatics in Nara<\/h3>\n

2\u5e74\u306b\u4e00\u5ea6\u958b\u50ac\u3057\u3066\u3044\u307e\u3059Autumn School on Chemoinformatics\u306f\u4eca\u56de\u30678\u56de\u76ee\u3068\u306a\u308a\u307e\u3059\u3002\u3053\u306e\u56fd\u969b\u30b7\u30f3\u30dd\u30b8\u30a6\u30e0\u306f\u3001\u30b9\u30c8\u30e9\u30b9\u30d6\u30fc\u30eb\u5927\u5b66\u3067\u958b\u50ac\u3055\u308c\u308bSummer School on Chemoinformatics\u3068\u5bfe\u3092\u306a\u3059\u3082\u306e\u3068\u3057\u3066\u6bce\u5e74\u4ea4\u4e92\u306b\u958b\u50ac\u3055\u308c\u3066\u304a\u308a\u3001\u30c7\u30fc\u30bf\u99c6\u52d5\u578b\u5316\u5b66\u5206\u91ce\u306e\u6700\u5148\u7aef\u306e\u53d6\u308a\u7d44\u307f\u3092\u767a\u4fe1\u3057\u3066\u304d\u307e\u3057\u305f\u3002\u4eca\u56de\u3082\u56fd\u5185\u5916\u306e\u8457\u540d\u306a\u30c7\u30fc\u30bf\u99c6\u52d5\u578b\u5316\u5b66\u7814\u7a76\u8005\u306e\u62db\u5f85\u8b1b\u6f14\u306e\u307b\u304b\u306b\u3001\u4e00\u822c\u53e3\u982d\u767a\u8868\u3001\u30dd\u30b9\u30bf\u30fc\u767a\u8868\u3092\u52df\u96c6\u3057\u3066\u958b\u50ac\u3057\u307e\u3059\u3002\u3082\u306f\u3084\u5316\u5b66\u7814\u7a76\u306b\u304a\u3044\u3066\u30c7\u30fc\u30bf\u99c6\u52d5\u306e\u53d6\u308a\u7d44\u307f\u306f\u5f53\u305f\u308a\u524d\u3068\u306a\u3063\u3066\u304d\u307e\u3057\u305f\u3002\u3053\u306e\u56fd\u969b\u30b7\u30f3\u30dd\u30b8\u30a6\u30e0\u304c\u7686\u69d8\u306e\u4eca\u5f8c\u306e\u7814\u7a76\u30fb\u958b\u767a\u306e\u53d6\u308a\u7d44\u307f\u306e\u4e00\u52a9\u3068\u306a\u308c\u3070\u5e78\u3044\u3067\u3059\u3002<\/p>\n

\u958b\u50ac\u65e5\u6642<\/h5>\n

2023\u5e7411\u670828\u65e5\uff08\u706b\uff0910:30-17:40
\n2023\u5e7411\u670829\u65e5\uff08\u6c34\uff099:30-17:20
\n2023\u5e7411\u670830\u65e5\uff08\u6728\uff099:30-15:00<\/p>\n

\u958b\u50ac\u5834\u6240<\/h5>\n

\u5948\u826f\u6625\u65e5\u91ce\u56fd\u969b\u30d5\u30a9\u30fc\u30e9\u30e0\u5225\u99282\u968e\uff08\u30a2\u30af\u30bb\u30b9<\/a>\u3001\u5225\u9928\u3078\u306e\u30a2\u30af\u30bb\u30b9\u8a73\u7d30<\/a>\uff09<\/p>\n

\u53c2\u52a0\u8cbb<\/h5>\n

\u4e00\u822c\u53c2\u52a0\u8005 8,000\u5186 \uff08\u5b66\u751f 4,000\u5186\uff09
\n\u203b\u30c7\u30fc\u30bf\u99c6\u52d5\u578b\u30b5\u30a4\u30a8\u30f3\u30b9\u30fb\u30b3\u30f3\u30bd\u30fc\u30b7\u30a2\u30e0<\/a>\u4f1a\u54e1\u4f01\u696d\u304b\u3089\u306e\u53c2\u52a0\u306f\u512a\u5f85\u3067\u3059\u3002
\n\u203b\u5c55\u793a\u30d6\u30fc\u30b9\u3078\u306e\u51fa\u5c55\u4f01\u696d\u306f\u5404\u793e3\u540d\u307e\u3067\u7121\u6599\u3068\u306a\u308a\u307e\u3059\u3002\u3053\u308c\u3092\u8d85\u3048\u3066\u767b\u9332\u3055\u308c\u308b\u5834\u5408\u306b\u306f\u4e00\u822c\u3067\u767b\u9332\u3092\u304a\u9858\u3044\u3057\u307e\u3059\u3002<\/span><\/p>\n

\u53c2\u52a0\u8cbb\u632f\u308a\u8fbc\u307f\u306e\u6848\u5185\u3092\u7533\u3057\u8fbc\u307f\u6642\u306b\u304a\u9001\u308a\u3044\u305f\u3057\u307e\u3059\u3002
\n\u5f53\u65e5\u53d7\u4ed8\u3067\u53c2\u52a0\u8a3c\u304a\u3088\u3073\u9818\u53ce\u66f8\u3092\u767a\u884c\u3044\u305f\u3057\u307e\u3059\u3002<\/p>\n

\u61c7\u89aa\u4f1a<\/h5>\n

2023\u5e7411\u670829\u65e5 \uff08\u6c34\uff0918:00\uff5e
\n\u56fd\u7acb\u535a\u7269\u9928\u5730\u4e0b\u30ec\u30b9\u30c8\u30e9\u30f3 \u8449\u98a8\u6cf0\u5922\uff08\u30a2\u30af\u30bb\u30b9<\/a>\uff09
\n\u61c7\u89aa\u4f1a\u53c2\u52a0\u8cbb 10,000\u5186\uff08\u5b66\u751f5,000\u5186\uff09
\n\u203b\u30c7\u30fc\u30bf\u99c6\u52d5\u578b\u30b5\u30a4\u30a8\u30f3\u30b9\u30fb\u30b3\u30f3\u30bd\u30fc\u30b7\u30a2\u30e0<\/a>\u4f1a\u54e1\u4f01\u696d\u69d8\u3001\u5c55\u793a\u30d6\u30fc\u30b9\u3078\u306e\u51fa\u5c55\u4f01\u696d\u69d8\u3082\u53c2\u52a0\u8cbb\u304c\u767a\u751f\u3044\u305f\u3057\u307e\u3059\u3002<\/p>\n

\u53c2\u52a0\u8cbb\u3068\u540c\u6642\u306b\u632f\u308a\u8fbc\u307f\u3092\u304a\u9858\u3044\u3057\u307e\u3059\u3002
\n\u9818\u53ce\u66f8\u304c\u5fc5\u8981\u306a\u65b9\u306b\u306f\u5b66\u4f1a\u53d7\u4ed8\u3067\u767a\u884c\u3044\u305f\u3057\u307e\u3059\u3002<\/p>\n

\u53c2\u52a0\u767b\u9332<\/h5>\n

\u304a\u7533\u3057\u8fbc\u307f\u30d5\u30a9\u30fc\u30e0\u00a0 \u203b\u53c2\u52a0\u7533\u8fbc\u3092\u7de0\u3081\u5207\u308a\u307e\u3057\u305f<\/strong><\/span><\/p>\n

\u203b\u53c2\u52a0\u8005\u6570\u4e0a\u9650\u306e150\u540d\u306b\u9054\u3057\u305f\u5834\u5408\u306b\u306f\u767b\u9332\u7de0\u3081\u5207\u308a\u3092\u5f85\u305f\u305a\u306b\u767b\u9332\u3092\u7de0\u3081\u5207\u308a\u307e\u3059\u3002<\/p>\n

\u7de0\u5207\u671f\u9650<\/h5>\n

\u767a\u8868\u8005\uff08\u4e00\u822c\u53e3\u982d\u767a\u8868\u304a\u3088\u3073\u30dd\u30b9\u30bf\u30fc\u767a\u8868\uff09<\/strong>\u203b\u767a\u8868\u8005\u7533\u8fbc\u3092\u7de0\u3081\u5207\u308a\u307e\u3057\u305f<\/strong><\/span>
\n<\/span>\u4e00\u822c\u516c\u6f14\u767a\u8868\uff1a15\u5206\uff08\u8cea\u7591\u5fdc\u7b54\u8fbc\u307f\uff09
\n\u30dd\u30b9\u30bf\u30fc\u767a\u8868\uff1a2\u5206\u9593\u306e\u30b7\u30e7\u30fc\u30c8\u30d7\u30ec\u30bc\u30f3\u30c6\u30fc\u30b7\u30e7\u30f3\u3042\u308a
\n<\/span>2023\u5e749\u670820\u65e5\u307e\u3067\u00a0<\/span>\u00a0
\n\u7533\u8fbc\u30d5\u30a9\u30fc\u30e0\u3088\u308a\u304a\u7533\u8fbc\u307f\u304f\u3060\u3055\u3044\u3002
\n\u305d\u306e\u969b\u306b\u767a\u8868\u984c\u76ee\uff08\u82f1\uff09\u3001\u767a\u8868\u6982\u8981 \uff08\u82f1\uff09200\u30ef\u30fc\u30c9\u3092\u7533\u8fbc\u30d5\u30a9\u30fc\u30e0\u3088\u308a\u63d0\u51fa\u3092\u304a\u9858\u3044\u3057\u307e\u3059\u3002
\n\u4e00\u822c\u516c\u6f14\u767a\u8868\u304a\u3088\u3073\u30dd\u30b9\u30bf\u30fc\u767a\u8868\u3067\u4f7f\u7528\u3044\u305f\u3060\u304f\u8a00\u8a9e\u306f\u82f1\u8a9e\u3068\u3055\u305b\u3066\u3044\u305f\u3060\u304d\u307e\u3059\u3002
\n2023\u5e7411\u670811\u65e5\u307e\u3067<\/span>
\n\u304a\u7533\u3057\u8fbc\u307f\u5f8c\u306b\u5c4a\u304f\u30e1\u30fc\u30eb\u3088\u308a\u30c6\u30f3\u30d7\u30ec\u30fc\u30c8\u3092\u30c0\u30a6\u30f3\u30ed\u30fc\u30c9\u3057\u3066\u3044\u305f\u3060\u304d\u30012\uff5e4\u30da\u30fc\u30b8\u306e\u767a\u8868\u8981\u65e8\u3092\u540c\u30e1\u30fc\u30eb\u5185\u8a18\u8f09\u306e\u30a2\u30c3\u30d7\u30ed\u30fc\u30c9\u7528\u30ea\u30f3\u30af\u3088\u308a\u30d5\u30a1\u30a4\u30eb\u3092\u30a2\u30c3\u30d7\u30ed\u30fc\u30c9\u3057\u3066\u304f\u3060\u3055\u3044\u3002
\n2023\u5e7411\u670814\u65e5\u307e\u3067<\/span>
\n\u53c2\u52a0\u8cbb\u7528\u304a\u652f\u6255\u3044\u3092\u304a\u9858\u3044\u3057\u307e\u3059\u3002
\n\u203b\u632f\u8fbc\u78ba\u8a8d\u3092\u3082\u3063\u3066\u7533\u8fbc\u5b8c\u4e86\u3068\u3055\u305b\u3066\u3044\u305f\u3060\u304d\u307e\u3059\u3002<\/p>\n

\u53c2\u52a0\u306e\u307f\u306e\u65b9<\/strong>
\n2023\u5e7411\u670814\u65e5\u307e\u3067<\/span>
\n\u53c2\u52a0\u8cbb\u7528\u304a\u652f\u6255\u3044\u3092\u304a\u9858\u3044\u3057\u307e\u3059\u3002
\n\u203b\u632f\u8fbc\u78ba\u8a8d\u3092\u3082\u3063\u3066\u7533\u8fbc\u5b8c\u4e86\u3068\u3055\u305b\u3066\u3044\u305f\u3060\u304d\u307e\u3059\u3002<\/p>\n

\u4e3b\u50ac<\/h5>\n

\u5948\u826f\u5148\u7aef\u79d1\u5b66\u6280\u8853\u5927\u5b66\u9662\u5927\u5b66 \u30c7\u30fc\u30bf\u99c6\u52d5\u578b\u30b5\u30a4\u30a8\u30f3\u30b9\u5275\u9020\u30bb\u30f3\u30bf\u30fc<\/p>\n

\u5354\u8cdb<\/h5>\n

\u65e5\u672c\u5316\u5b66\u4f1a\u30b1\u30e2\u30a4\u30f3\u30d5\u30a9\u30de\u30c6\u30a3\u30af\u30b9\u90e8\u4f1a
\n\u65e5\u672c\u30b3\u30f3\u30d4\u30e5\u30fc\u30bf\u5316\u5b66\u4f1a
\nCBI\u5b66\u4f1a<\/p>\n

\u51fa\u5c55\u4f01\u696d<\/h5>\n

\u682a\u5f0f\u4f1a\u793e\u30a2\u30d5\u30a3\u30cb\u30c6\u30a3\u30b5\u30a4\u30a8\u30f3\u30b9
\nOpenEye, Cadence Molecular Sciences<\/span>
\n\u682a\u5f0f\u4f1a\u793e\u30ef\u30fc\u30eb\u30c9\u30d5\u30e5\u30fc\u30b8\u30e7\u30f3
\n\u682a\u5f0f\u4f1a\u793e\u30e2\u30eb\u30b7\u30b9
\n\u682a\u5f0f\u4f1a\u793e\u30a8\u30b9\u30fb\u30c6\u30a3\u30fb\u30b8\u30e3\u30d1\u30f3
\n\u30b7\u30e5\u30ec\u30fc\u30c7\u30a3\u30f3\u30ac\u30fc\u682a\u5f0f\u4f1a\u793e
\nIktos
\n\u682a\u5f0f\u4f1a\u793eElix<\/p>\n

\u62db\u5f85\u8b1b\u6f14\u8005<\/h5>\n

Prof. J\u00fcrgen Bajorath\uff08Bonn University\uff09
\nDr. Sharon Bryant\uff08Inte:Ligand\uff09
\nProf. Johann Gasteiger\uff08Erlangen-Nuernberg University\uff09
\nProf. Kenji Hori\uff08TS Technology\uff09\u3000
\nProf. Satoshi Maeda\uff08Hokkaido University\uff09
\nProf. Thierry Langer\uff08Vienna University\uff09
\nProf. Didier Rognan\uff08Strasbourg University\uff09
\nProf. Gisbert Schneider\uff08ETH\uff09
\nProf. Manabu Sugimoto\uff08Kumamoto University\uff09
\nProf. Shigetaka Tomiya\uff08NAIST\uff09
\nProf. Alexandre Varnek\uff08Strasbourg University\uff09
\nProf. Yoshihiro Yamanishi \uff08Nagoya University\uff09
\nProf. Kazunari Yoshizawa\uff08Kyushu University\uff09<\/p>\n

\u30d7\u30ed\u30b0\u30e9\u30e0<\/h4>\n

\u203b\u9806\u6b21\u8a73\u7d30\u306a\u60c5\u5831\u3092\u63b2\u8f09\u3057\u3066\u3044\u304d\u307e\u3059\u3002<\/p>\n

\uff11\uff11\u6708\uff12\uff18\u65e5\u3000<\/strong>
\n\uff11\uff10\uff1a\uff13\uff10\uff5e\uff11\uff10\uff1a\uff14\uff10\u3000Opening Remarks\u3000\u8239\u6d25\u3000\u516c\u4eba\uff08NAIST\uff09
\n\uff11\uff10\uff1a\uff14\uff10\uff5e\uff11\uff12\uff1a\uff12\uff10\u3000\u3010\u62db\u5f85\u8b1b\u6f14\u30bb\u30c3\u30b7\u30e7\u30f3\uff11\u3011
\n[Chair: Prof.\u00a0 Kimito Funatsu]
\n\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0 \u30fb\uff30\uff2c\uff0d\uff11\u3000\u00a0\u00a0\u00a0\u00a0 Prof. Johann Gasteiger (Erlangen-Nuernberg University)
\n\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0 \u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0 \u00a0\u00a0 \u00a0 \u00a0 \u00a0\u00a0 \u00a0\u00a0\u00a0\u00a0\u00a0\u00a0 “My 50 Years of Chemoinformatics Research<\/a>“<\/em>
\n\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0 \u30fb\uff30\uff2c\uff0d\uff12\u3000\u00a0\u00a0\u00a0\u00a0 Prof. J\u00fcrgen Bajorath (Bonn University)
\n\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0 \u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0 \u00a0\u00a0 \u00a0 \u00a0 \u00a0\u00a0 \u00a0\u00a0\u00a0\u00a0\u00a0\u00a0 “Chemical Language Models for Molecular Design<\/a>“<\/em>
\n\uff11\uff12\uff1a\uff12\uff10\uff5e\uff11\uff13\uff1a\uff13\uff10\u3000\u3010\u4f11\u61a9\u3011
\n\uff11\uff13\uff1a\uff13\uff10\uff5e\uff11\uff14\uff1a\uff10\uff10\u3000\u3010\u4f01\u696d\u30d6\u30fc\u30b9\u30fb\u30d7\u30ec\u30bc\u30f3\u30c6\u30fc\u30b7\u30e7\u30f3\uff11 \u3011
\n[Chair: Prof. Manabu Sugimoto]
\n\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0 \u30fb\uff25\uff0d\uff11\u3000\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0 OpenEye, Cadence Molecular Sciences – <\/em>Gunther Stahl
\n \u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0 \u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0 \u00a0\u00a0 \u00a0 \u00a0 \u00a0\u00a0 \u00a0\u00a0\u00a0\u00a0\u00a0\u00a0 “<\/em>Automated Identification of Cryptic Pockets for Drug Discovery<\/a>“<\/span>
\n\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0 \u30fb\uff25\uff0d\uff12\u3000\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0 \u30b7\u30e5\u30ec\u30fc\u30c7\u30a3\u30f3\u30ac\u30fc\u682a\u5f0f\u4f1a\u793e – <\/em><\/span>Yuji Takaoka
\n \u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0 \u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0 \u00a0\u00a0 \u00a0 \u00a0 \u00a0\u00a0 \u00a0\u00a0\u00a0\u00a0\u00a0\u00a0 <\/span>“Automated Molecular Machine Learning with DeepAutoQSAR”<\/em>
\n\uff11\uff14\uff1a\uff10\uff10\uff5e\uff11\uff14\uff1a\uff15\uff10\u3000\u3010\u62db\u5f85\u8b1b\u6f14\u30bb\u30c3\u30b7\u30e7\u30f3\uff12\u3011
\n[Chair: Prof. Alexandre Varnek]
\n\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0 \u30fb\uff30\uff2c\uff0d\uff13\u3000\u00a0\u00a0\u00a0\u00a0 Prof. Satoshi Maeda (Hokkaido University)
\n\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0 \u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0 \u00a0\u00a0 \u00a0 \u00a0 \u00a0\u00a0 \u00a0\u00a0\u00a0\u00a0\u00a0\u00a0 “Predicting a Chemical Reaction, its Products, Yields, and Mechanisms by Exploring Quantum Chemical Potential Energy Surfaces<\/a>“<\/em>
\n\uff11\uff14\uff1a\uff15\uff10\uff5e\uff11\uff15\uff1a\uff12\uff10\u3000\u3010\u4f11\u61a9\u3011
\n\uff11\uff15\uff1a\uff12\uff10\uff5e\uff11\uff16\uff1a\uff10\uff15\u3000\u3010\u4e00\u822c\u53e3\u982d\u767a\u8868\u3011
\n[Chair: Prof. Kenji Hori]
\n\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0 \u30fbO\uff0d\uff11\u3000\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0 Pavel Sidorov\u00a0 (Hokkaido University)
\n \u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0 \u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0 \u00a0\u00a0 \u00a0 \u00a0 \u00a0\u00a0 \u00a0\u00a0\u00a0\u00a0\u00a0\u00a0 “<\/em>Predicting Highly Enantioselective Catalysts Using Tunable Fragment Descriptors<\/a>“
\n\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0 \u30fbO\uff0d\uff12\u3000\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0 Yosuke Harashima (NAIST)
\n \u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0 \u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0 \u00a0\u00a0 \u00a0 \u00a0 \u00a0\u00a0 \u00a0\u00a0\u00a0\u00a0\u00a0\u00a0 “<\/em>Data assimilation method for materials exploration based on Bayesian optimization<\/a>“
\n\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0 \u30fbO\uff0d\uff13\u3000\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0 Swarit Jasial (NAIST)
\n\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0 \u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0 \u00a0\u00a0 \u00a0 \u00a0 \u00a0\u00a0 \u00a0\u00a0\u00a0\u00a0\u00a0\u00a0 “Prediction of Monomer Concentrations in Copolymerization Reactions from Infrared (IR) Spectra<\/a>“<\/em>
\n\uff11\uff16\uff1a\uff10\uff15\uff5e\uff11\uff17\uff1a\uff14\uff15\u3000\u3010\u62db\u5f85\u8b1b\u6f14\u30bb\u30c3\u30b7\u30e7\u30f3\uff13\u3011
\n[Chair: Prof. Manabu Sugimoto]
\n\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0 \u30fb\uff30\uff2c\uff0d\uff14\u3000\u00a0\u00a0\u00a0\u00a0 Prof. Kenji Hori (TS Technology)
\n\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0 \u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0 \u00a0\u00a0 \u00a0 \u00a0 \u00a0\u00a0 \u00a0\u00a0\u00a0\u00a0\u00a0\u00a0 “Data-Driven Chemistry for Developing Organic Synthesis Routes for Functional Chemicals<\/a>“<\/em>
\n\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0 \u30fb\uff30\uff2c\uff0d\uff15\u3000\u00a0\u00a0\u00a0\u00a0 Prof. Alexandre Varnek (Strasbourg University)
\n\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0 \u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0 \u00a0\u00a0 \u00a0 \u00a0 \u00a0\u00a0 \u00a0\u00a0\u00a0\u00a0\u00a0\u00a0 “Condensed Graph of Reaction – a Swiss-army knife for chemical reactions mining<\/a>“<\/em><\/p>\n

\uff11\uff11\u6708\uff12\uff19\u65e5\u3000<\/strong>
\n\uff19\uff1a\uff13\uff10\uff5e\uff11\uff11\uff1a\uff11\uff10\u3000\u3010\u62db\u5f85\u8b1b\u6f14\u30bb\u30c3\u30b7\u30e7\u30f3\uff14\u3011
\n[Chair: Prof. Thierry Langer]
\n\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0 \u30fb\uff30\uff2c\uff0d\uff16\u3000\u00a0\u00a0\u00a0\u00a0 Prof. Didier Rognan (Strasbourg University)
\n\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0 \u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0 \u00a0\u00a0 \u00a0 \u00a0 \u00a0\u00a0 \u00a0\u00a0\u00a0\u00a0\u00a0\u00a0 “Protein structure-based organic chemistry-driven ligand design from billion-size chemical spaces<\/a>“<\/em>
\n\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0 \u30fb\uff30\uff2c\uff0d\uff17\u3000\u00a0\u00a0\u00a0\u00a0 Prof. Yoshihiro Yamanishi (Nagoya University)
\n \u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0 \u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0 \u00a0\u00a0 \u00a0 \u00a0 \u00a0\u00a0 \u00a0\u00a0\u00a0\u00a0\u00a0\u00a0 “Data-driven drug discovery and healthcare by machine learning<\/a>“<\/em>
\n\uff11\uff11\uff1a\uff11\uff10\uff5e\uff11\uff11\uff1a\uff14\uff10\u3000\u3010\u4f01\u696d\u30d6\u30fc\u30b9\u30fb\u30d7\u30ec\u30bc\u30f3\u30c6\u30fc\u30b7\u30e7\u30f3\uff12]
\n[Chair: Prof. Kenji Hori]
\n\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0 \u30fb\uff25\uff0d\uff13\u3000\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0 \u682a\u5f0f\u4f1a\u793e\u30e2\u30eb\u30b7\u30b9 – <\/em>Yoshirou Kimura
\n\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0 \u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0 \u00a0\u00a0 \u00a0 \u00a0 \u00a0\u00a0 \u00a0\u00a0\u00a0\u00a0\u00a0\u00a0 <\/em>“MOE Overview<\/em><\/a>“
\n\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0 \u30fb\uff25\uff0d\uff14\u3000\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0 \u682a\u5f0f\u4f1a\u793e\u30a2\u30d5\u30a3\u30cb\u30c6\u30a3\u30b5\u30a4\u30a8\u30f3\u30b9 – Tomohiko Tasaka
\n\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0 \u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0 \u00a0\u00a0 \u00a0 \u00a0 \u00a0\u00a0 \u00a0\u00a0\u00a0\u00a0\u00a0\u00a0 <\/em>“Introduction of software tools for de novo molecular design and structure-based methods”
\n\uff11\uff11\uff1a\uff14\uff10\uff5e\uff11\uff13\uff1a\uff10\uff10\u3000\u3010\u4f11\u61a9\u3011
\n\uff11\uff13\uff1a\uff10\uff10\uff5e\uff11\uff13\uff1a\uff15\uff10\u3000\u3010\u62db\u5f85\u8b1b\u6f14\u30bb\u30c3\u30b7\u30e7\u30f3\uff15\u3011
\n[Chair: Prof. J\u00fcrgen Bajorath]
\n\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0 \u30fb\uff30\uff2c\uff0d\uff18\u3000\u00a0\u00a0\u00a0\u00a0 Prof. Gisbert Schneider (ETH Zurich)
\n\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0 \u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0 \u00a0\u00a0 \u00a0 \u00a0 \u00a0\u00a0 \u00a0\u00a0\u00a0\u00a0\u00a0\u00a0 “De Novo Molecular Design with Machine Intelligence<\/a>“<\/em>
\n\uff11\uff13\uff1a\uff15\uff10\uff5e\uff11\uff14\uff1a\uff12\uff10\u3000\u3010\u4e00\u822c\u53e3\u982d\u767a\u8868\u3011
\n[Chair: Prof. Sharon Bryant]
\n\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0 \u30fbO\uff0d\uff14\u3000\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0 Yuki Matsukiyo (Kyushu Institute of Technology)
\n\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0 \u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0 \u00a0\u00a0 \u00a0 \u00a0 \u00a0\u00a0 \u00a0\u00a0\u00a0\u00a0\u00a0\u00a0 “Gene expression data-driven scaffold-constrained molecular structure generation by deep neural network<\/a>“<\/em>
\n\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0 \u30fbO\uff0d\uff15\u3000\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0 Kazufumi Ohkawa (Asahi Kasei Pharma)
\n\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0 \u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0 \u00a0\u00a0 \u00a0 \u00a0 \u00a0\u00a0 \u00a0\u00a0\u00a0\u00a0\u00a0\u00a0 “Development of fingerprints considering chemical reactions<\/a>“<\/em>
\n\uff11\uff14\uff1a\uff12\uff10\uff5e\uff11\uff16\uff1a\uff10\uff15\u3000\u3010\u30dd\u30b9\u30bf\u30fc\u30bb\u30c3\u30b7\u30e7\u30f3\uff08\u30b7\u30e7\u30fc\u30c8\u30d7\u30ec\u30bc\u30f3\u4ed8\u304d\uff09\u3011
\n[Chair: Manabu Sugimoto]
\n\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0 \u203b\u30d1\u30ef\u30fc\u30dd\u30a4\u30f3\u30c8\u306b\u3088\u308b\uff12\u5206\u9593\u30d7\u30ec\u30bc\u30f3\u30c6\u30fc\u30b7\u30e7\u30f3\u306e\u5f8c\u3001\u30dd\u30b9\u30bf\u30fc\u767a\u8868\u3092\u884c\u3044\u307e\u3059\u3002
\n\uff11\uff16\uff1a\uff11\uff10\uff5e\uff11\uff16\uff1a\uff14\uff10\u3000\u3010\u4f01\u696d\u30d6\u30fc\u30b9\u30fb\u30d7\u30ec\u30bc\u30f3\u30c6\u30fc\u30b7\u30e7\u30f3\uff13\u3011
\n[Chair: Prof. Shigetaka Tomiya]
\n\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0 \u30fb\uff25\uff0d\uff15\u3000\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0 \u682a\u5f0f\u4f1a\u793e\u30ef\u30fc\u30eb\u30c9\u30d5\u30e5\u30fc\u30b8\u30e7\u30f3 – Atsushi Midorikawa
\n\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0 \u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0 \u00a0\u00a0 \u00a0 \u00a0 \u00a0\u00a0 \u00a0\u00a0\u00a0\u00a0\u00a0 “Challenges in Tracking Life Science Literature and the New Solution ‘PubMedify<\/a>‘”<\/em>
\n\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0 \u30fb\uff25\uff0d\uff16\u3000\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0 \u682a\u5f0f\u4f1a\u793eElix – Casey Galvin
\n\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0 \u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0 \u00a0\u00a0 \u00a0 \u00a0 \u00a0\u00a0 \u00a0\u00a0\u00a0\u00a0\u00a0\u00a0 “Molecular Generation of Non-covalent KRAS Inhibitor Candidates Using Machine Learning”<\/em>
\n\uff11\uff16\uff1a\uff14\uff10\uff5e\uff11\uff17\uff1a\uff13\uff10\u3000\u3010\u62db\u5f85\u8b1b\u6f14\u30bb\u30c3\u30b7\u30e7\u30f3\uff16\u3011
\n[Chair: Prof. Gisbert Schneider]
\n\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0 \u30fb\uff30\uff2c\uff0d\uff19\u3000\u00a0\u00a0\u00a0\u00a0 Dr. Sharon Bryant (Inte:Ligand)
\n\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0 \u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0 \u00a0\u00a0 \u00a0 \u00a0 \u00a0\u00a0 \u00a0\u00a0\u00a0\u00a0\u00a0\u00a0 “Advanced 3D-Pharmacophores for Bioactive Molecule Discovery and De-Risking Neurotoxicity<\/a>“<\/em>
\n\uff11\uff18\uff1a\uff10\uff10\uff5e\u3000\u3000\u3000\u3000\u3000\u3000\u61c7\u89aa\u4f1a\uff1a\u56fd\u7acb\u535a\u7269\u9928\u5730\u4e0b\u30ec\u30b9\u30c8\u30e9\u30f3\u300c\u8449\u98a8\u6cf0\u5922\u300d<\/p>\n

\uff11\uff11\u6708\uff13\uff10\u65e5<\/strong>
\n\uff19\uff1a\uff13\uff10\uff5e\uff11\uff11\uff1a\uff11\uff10\u3000\u3010\u62db\u5f85\u8b1b\u6f14\u30bb\u30c3\u30b7\u30e7\u30f3\uff17\u3011
\n[Chair: Prof. Kenji Hori]
\n\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0 \u30fb\uff30\uff2c\uff0d\uff11\uff10\u3000Prof. Shigetaka Tomiya (NAIST)
\n\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0 \u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0 \u00a0\u00a0 \u00a0 \u00a0 \u00a0\u00a0 \u00a0\u00a0\u00a0\u00a0\u00a0\u00a0 “Metrology informatics on semiconductor materials<\/a>“<\/em>
\n\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0 \u30fb\uff30\uff2c\uff0d\uff11\uff11\u3000Prof. Thierry Langer (Vienna University)
\n\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0 \u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0 \u00a0\u00a0 \u00a0 \u00a0 \u00a0\u00a0 \u00a0\u00a0\u00a0\u00a0\u00a0\u00a0 “Towards Next Generation Pharmacophore Modeling: Concepts and Applications<\/a>“<\/em>
\n\uff11\uff11\uff1a\uff11\uff10\uff5e\uff11\uff11\uff1a\uff14\uff10\u3000\u3010\u4f01\u696d\u30d6\u30fc\u30b9\u30fb\u30d7\u30ec\u30bc\u30f3\u30c6\u30fc\u30b7\u30e7\u30f3\uff14\u3011
\n[Chair: Prof. Kazunari Yoshizawa]
\n\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0 \u30fb\uff25\uff0d\uff17\u3000\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0 \u682a\u5f0f\u4f1a\u793e\u30a8\u30b9\u30fb\u30c6\u30a3\u30fb\u30b8\u30e3\u30d1\u30f3 – <\/em>Ryosuke Sasaki
\n\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0 \u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0 \u00a0\u00a0 \u00a0 \u00a0 \u00a0\u00a0 \u00a0\u00a0\u00a0\u00a0\u00a0\u00a0 “Usefulness of Mixture Analysis with Spectra Genius Mixture Master<\/a>“<\/em>
\n\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0 \u30fb\uff25\uff0d\uff18\u3000\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0 Iktos – <\/em>Hideyoshi Fuji
\n\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0 \u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0 \u00a0\u00a0 \u00a0 \u00a0 \u00a0\u00a0 \u00a0\u00a0\u00a0\u00a0\u00a0\u00a0 “Iktos Generative AI Technology to Accelerate Drug Design and Discovery<\/a>“<\/em>
\n\uff11\uff11\uff1a\uff14\uff10\uff5e\uff11\uff13\uff1a\uff10\uff10\u3000\u3010\u4f11\u61a9\u3011
\n\uff11\uff13\uff1a\uff10\uff10\uff5e\uff11\uff14\uff1a\uff14\uff10\u3000\u3010\u62db\u5f85\u8b1b\u6f14\u30bb\u30c3\u30b7\u30e7\u30f3\uff18\u3011
\n[Chair: Prof. Yoshihiro Yamanishi]
\n\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0 \u30fb\uff30\uff2c\uff0d\uff11\uff12\u3000Prof. Kazunari Yoshizawa (Kyushu University)
\n\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0 \u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0 \u00a0\u00a0 \u00a0 \u00a0 \u00a0\u00a0 \u00a0\u00a0\u00a0\u00a0\u00a0\u00a0 “Catalyst Informatics Study for the Selective Functionalization of Methane<\/a>“<\/em>
\n\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0 \u30fb\uff30\uff2c\uff0d\uff11\uff13\u3000Prof. Manabu Sugimoto (Kumamoto University)\u3000
\n\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0 \u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0 \u00a0\u00a0 \u00a0 \u00a0 \u00a0\u00a0 \u00a0\u00a0\u00a0\u00a0\u00a0\u00a0 “Electronic-Structure Informatics: Concepts, Extended Methods, and Recent Applications<\/a>“<\/em>
\n\uff11\uff14\uff1a\uff14\uff10\u3000\u3000\u3000\u3000\u3000Closing remarks\u3000\u3000\u8239\u6d25\u3000\u516c\u4eba\uff08NAIST\uff09<\/p>\n

\u3010\u30dd\u30b9\u30bf\u30fc\u767a\u8868\u4e00\u89a7\u3011<\/p>\n

\uff30\uff0d\uff11 Naoki Matsui (Tokyo Institute of Technology)
\n\u3000\u3000\u3000”Universal Compositional Descriptors for Ionic Conductivity in Solid Electrolytes<\/a>“
\n\uff30\uff0d\uff12 Philippe Gantzer (Hokkaido University)
\n\u3000\u3000\u3000”Representation of Reaction Networks by Generative Topographic Mapping<\/a>“
\n\uff30\uff0d\uff13 Shunsuke Tanahashi (NAIST)
\n\u3000\u3000\u3000”Improvement of Product Prediction in Polymer Flow Synthesis with Computational Fluid Dynamics<\/a>“
\n\uff30\uff0d\uff14 Shuya Masuda (NAIST)
\n\u3000\u3000\u3000”Exploring P-type oxide semiconductor photocatalysts using machine learning potentials<\/a>“
\n\uff30\uff0d\uff15 Mamoru Nishijo (NAIST)
\n\u3000\u3000\u3000”Designing new materials by closed loop consisting of GAN and first-principles calculation<\/a>“
\n\uff30\uff0d\uff16 Daimon Sakaguchi (YOKOHAMA National University)
\n\u3000\u3000\u3000”Explanation and prediction of nucleophilic reaction\u2019s facial selectivity of cyclic ketones by calculating steric and orbital factor.<\/a>“
\n\uff30\uff0d\uff17 Yuuto Matsumoto (YOKOHAMA National University)
\n\u3000\u3000\u3000”Embedding of compounds names from antioxidant articles is related to compound\u2019s features<\/a>“
\n\uff30\uff0d\uff18 A. Nakao (CrowdChem)
\n\u3000\u3000\u3000”Multi-property prediction model based on patents and PoLyInfo database<\/a>“
\n\uff30\uff0d\uff19 Yusuke Aikawa (Kumamoto University)
\n\u3000\u3000\u3000”Detouring costly quantum-chemistry calculations: Machine-learning prediction of electronic-sturcture-informatics (ESI) descriptors<\/a>“
\n\uff30\uff0d\uff11\uff10 Shogo Takasuka (NAIST)
\n\u3000\u3000\u3000”Process optimization by multi-objective Bayesian Optimization of copolymers radical polymerized in a flow synthesizer.<\/a>“
\n\uff30\uff0d\uff11\uff11 Toshiki Naka (NAIST)
\n\u3000\u3000\u3000”Data assimilation of perovskite-type metal oxides\u2019 band gaps obtained by first-principles calculations and experiments<\/a>“
\n\uff30\uff0d\uff11\uff12 Y. Shimo (Tokyo Institute of Technology)
\n\u3000\u3000\u3000”Comprehensive exploring for cathode materials of fluoride ion batteries<\/a>“
\n\uff30\uff0d\uff11\uff13 Ruben STAUB (Hokkaido University)
\n\u3000\u3000\u3000”Accelerating Artificial Force Induced Reaction path search with Neural Network Potentials<\/a>“
\n\uff30\uff0d\uff11\uff14 GIMADIEV Timur (Hokkaido University)
\n\u3000\u3000\u3000”Graph Neural Networks based Active Learning for Guided Exploration of High-yield Reactions<\/a>“
\n\uff30\uff0d\uff11\uff15 Yamato Mizushima (NAIST)
\n\u3000\u3000\u3000”Development of Base Metal Alloy Catalysts by Cyber-physical Loop Using Electronic Laboratory Notebook<\/a>“
\n\uff30\uff0d\uff11\uff16 Rezi Riadhi (NAIST)
\n\u3000\u3000\u3000”Utilization of Hybrid Fragmentation Fingerprint in SARMs Dataset<\/a>“
\n\uff30\uff0d\uff11\uff17 Dmitrii Zankov (Hokkaido University)
\n\u3000\u3000\u3000”Graph-based Self-Learning Retrosynthesis Planner<\/a>“
\n\uff30\uff0d\uff11\uff18 Akinori Sato (NAIST)
\n\u3000\u3000\u3000”Prediction of reaction yield for high throughput experimental data sets by deep learning<\/a>“
\n\uff30\uff0d\uff11\uff19 Kosuke Tanie (NAIST)
\n\u3000\u3000\u3000”Construction of cyber physical loop including dynamic Monte Carlo simulation and Application to SrTiO3 photocatalyst performance<\/a>“
\n\uff30\uff0d\uff12\uff10 Tomoki Imoto (NAIST)
\n\u3000\u3000\u3000”Construction of machine learning model predicting Bader charges and application of the model to exploration of CO2 reduction electrocatalyst<\/a>“
\n\uff30\uff0d\uff12\uff11 Ryuto Baba (NAIST)
\n\u3000\u3000\u3000”Screening of Sulfide Photocatalyst Materials by Machine Learning<\/a>“
\n\uff30\uff0d\uff12\uff12 Shunsuke Nakatani (Keio University)
\n\u3000\u3000\u3000”Database of metal-phosphine complexes and its application to the prediction of the catalytic abilities using machine learning<\/a>“
\n\uff30\uff0d\uff12\uff13 S. Nakata (Kobe University)
\n\u3000\u3000\u3000”Efficient exploration of the chemical space through the composition of property-specific SMILES language models<\/a>“
\n\uff30\uff0d\uff12\uff14 Y. Tateishi (Kumamoto University)
\n\u3000\u3000\u3000”Electronic-Structure Informatics for Natural Product Drug Discovery: Discovery of \u03b1-glucosidase Inhibitors<\/a>“
\n\uff30\uff0d\uff12\uff15 Kazuma Kaitoh (Nagoya University)
\n\u3000\u3000\u3000”Chemical Space Visualization Toward Data-Driven DNA-Encoded Library Design<\/a>“
\n\uff30\uff0d\uff12\uff16 Mio Yokoyama (Kumamoto University)
\n\u3000\u3000\u3000”Predicting Ligand-Receptor Interaction Energies by Electronic-Structure Informatics<\/a>“
\n\uff30\uff0d\uff12\uff17 Koki Saiga (Kumamoto University)
\n\u3000\u3000\u3000”Design and Optimizaiton of Degital-Twins of Perovskite Solar Cells<\/a>“
\n\uff30\uff0d\uff12\uff18 Yuki Uchida (Kumamoto University)
\n\u3000\u3000\u3000”The Electronic-Structure Informatics Web Platform for Discovery of Functional Molecules<\/a>“
\n\uff30\uff0d\uff12\uff19 Y. Tsutsumi (Kumamoto University)
\n\u3000\u3000\u3000”Locally-Described Electronic-Structure Informatics: An Application to Predict Regioselectivity of Glutathione Adducts to Quinone Derivatives<\/a>“
\n\uff30\uff0d\uff13\uff10 Kariya Kosuke (Keio University)
\n\u3000\u3000\u3000”Prediction of Excitation States of Cerium Complexes via Machine Learning<\/a>“
\n\uff30\uff0d\uff13\uff11 C. Motono (AIST)
\n\u3000\u3000\u3000”A search method for novel protein functional site based on the spatial distribution of disease-associated missense variants<\/a>“
\n\uff30\uff0d\uff13\uff12 Riho Somaki (Keio University)
\n\u3000\u3000\u3000”Development of molecular structure search method with Bayesian optimizatio<\/a>n”
\n\uff30\uff0d\uff13\uff13 Andrew Jonathan Brahms Simangunsong (UNIVERSITAS INDONESIA)
\n\u3000\u3000\u3000”AI-Driven Virtual Screening and Molecular Docking for Identifying Potential SARS-CoV-2 Inhibitors from Indonesian Marine and Herbal Resources<\/a>“
\n\uff30\uff0d\uff13\uff14 Yuta Aoki (Schr\u00f6dinger, K.K.)
\n\u3000\u3000\u3000”Scaling law for machine learning of chemically functionalized metal organic frameworks<\/a>“<\/p>\n","protected":false},"excerpt":{"rendered":"

8th Autumn School of Chemoinformatics in Nara 2\u5e74\u306b\u4e00\u5ea6\u958b\u50ac\u3057\u3066\u3044\u307e\u3059Autumn School on Chemoinformatics\u306f\u4eca\u56de\u30678\u56de\u76ee\u3068\u306a\u308a\u307e\u3059\u3002\u3053\u306e\u56fd\u969b\u30b7\u30f3 […]<\/p>\n","protected":false},"author":1,"featured_media":0,"comment_status":"closed","ping_status":"closed","sticky":false,"template":"","format":"standard","meta":{"_locale":"ja","_original_post":"http:\/\/www-dsc.naist.jp\/dsc_naist\/?p=4701","_links_to":"","_links_to_target":""},"categories":[21,1,3],"tags":[],"event_taxonomy":[17],"acf":[],"_links":{"self":[{"href":"http:\/\/www-dsc.naist.jp\/dsc_naist\/wp-json\/wp\/v2\/posts\/4701"}],"collection":[{"href":"http:\/\/www-dsc.naist.jp\/dsc_naist\/wp-json\/wp\/v2\/posts"}],"about":[{"href":"http:\/\/www-dsc.naist.jp\/dsc_naist\/wp-json\/wp\/v2\/types\/post"}],"author":[{"embeddable":true,"href":"http:\/\/www-dsc.naist.jp\/dsc_naist\/wp-json\/wp\/v2\/users\/1"}],"replies":[{"embeddable":true,"href":"http:\/\/www-dsc.naist.jp\/dsc_naist\/wp-json\/wp\/v2\/comments?post=4701"}],"version-history":[{"count":122,"href":"http:\/\/www-dsc.naist.jp\/dsc_naist\/wp-json\/wp\/v2\/posts\/4701\/revisions"}],"predecessor-version":[{"id":6229,"href":"http:\/\/www-dsc.naist.jp\/dsc_naist\/wp-json\/wp\/v2\/posts\/4701\/revisions\/6229"}],"wp:attachment":[{"href":"http:\/\/www-dsc.naist.jp\/dsc_naist\/wp-json\/wp\/v2\/media?parent=4701"}],"wp:term":[{"taxonomy":"category","embeddable":true,"href":"http:\/\/www-dsc.naist.jp\/dsc_naist\/wp-json\/wp\/v2\/categories?post=4701"},{"taxonomy":"post_tag","embeddable":true,"href":"http:\/\/www-dsc.naist.jp\/dsc_naist\/wp-json\/wp\/v2\/tags?post=4701"},{"taxonomy":"event_taxonomy","embeddable":true,"href":"http:\/\/www-dsc.naist.jp\/dsc_naist\/wp-json\/wp\/v2\/event_taxonomy?post=4701"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}