IBM roboRXN\u3067\u306f\u3001\u5206\u5b50\u306e\u8a18\u8ff0\u306bSMILES(simplified molecular-input line-entry system)\u3068\u3044\u3046\u8a18\u6cd5\u3092\u4f7f\u3063\u3066\u3044\u307e\u3059\u3002\u3053\u308c\u306f\u3001\u5206\u5b50\u4e2d\u306e\u539f\u5b50\u306e\u3064\u306a\u304c\u308a\u65b9\u30921\u6b21\u5143\u306e\u6587\u5b57\u5217\u3067\u8a18\u8ff0\u3059\u308b\u65b9\u6cd5\u3067\u30011980\u5e74\u4ee3\u306b\u958b\u767a\u3055\u308c\u307e\u3057\u305f\u3002\u73fe\u5728\u3001\u5927\u90e8\u5206\u306f\u30aa\u30fc\u30d7\u30f3\u30bd\u30fc\u30b9\u3067\u3059\u304c\uff08”RDKit”\u3067\u63a2\u3057\u3066\u307f\u3066\u304f\u3060\u3055\u3044\uff09\u3001SMILES\u306e\u8003\u6848\u8005 David Weininger\u306b\u95a2\u3057\u3066\u306f\u8ffd\u60bc\u6587\u304c\u5c02\u9580\u8a8c\u306b\u3042\u308a\u3001web\u516c\u958b\u3055\u308c\u3066\u3044\u307e\u3059\u3002\u305d\u308c\u306b\u3088\u308b\u3068\u3001\u540c\u6c0f\u306f\u5927\u5b66\u306e\u4eba\u3067\u306f\u306a\u304f\u3001\u4f1a\u793e\u2192\u5927\u5b66\u9662\u3067\u535a\u58eb\u2192\u81ea\u6cbb\u4f53\u3067\u74b0\u5883\u4e2d\u306e\u5316\u5b66\u7269\u8cea\u306e\u6bd2\u6027\u3092\u8abf\u3079\u308b\u2192\u6bd2\u6027\u30c7\u30fc\u30bf\u30d9\u30fc\u30b9\u306e\u305f\u3081\u306bSMILES\u3092\u8003\u6848\u2192\u4ef2\u9593\u3092\u8a98\u3063\u3066\u8d77\u696d\u3001\u306e\u3088\u3046\u3067\u3059\u3002\u5927\u304d\u306a\u53ce\u76ca\u3092\u4e0a\u3052\u308b\u306e\u306f\u96e3\u3057\u305d\u3046\u3067\u3059\u304c\u3001\u3053\u306e\u8003\u6848\u3067\u81ea\u5bb6\u7528\u98db\u884c\u6a5f\u3092\uff13\u6a5f\u6240\u6709\u3057\u81ea\u5b85\u306b\u5929\u4f53\u89b3\u6e2c\u6240\u3068\u5b9f\u9a13\u5ba4\u3092\u69cb\u7bc9\u3059\u308b\u7a0b\u5ea6\u306b\u306f\u5831\u308f\u308c\u305f\u3088\u3046\u3067\u3088\u304b\u3063\u305f\u3067\u3059\u3002Daylight\u3068\u3044\u3046\u95a2\u9023\u4f1a\u793e\u304c\u4eca\u3082\u3042\u308a\u307e\u3059\u3002
\nhttps:\/\/link.springer.com\/article\/10.1007\/s10822-018-0104-3
\nhttps:\/\/www.daylight.com\/smiles\/index.html
\n\u5f7c\u306e\u30e9\u30a4\u30bb\u30f3\u30b9\u306b\u95a2\u3059\u308b\u8003\u3048\u304c\u4e0b\u8a18\u306b\u307e\u3068\u307e\u3063\u3066\u3044\u307e\u3059\u3002\u96e3\u3057\u3044\u8235\u53d6\u308a\u3060\u3063\u305f\u3068\u60f3\u50cf\u3057\u307e\u3059\u3002\u3044\u305a\u308c\u3001\u30b3\u30f3\u30d4\u30e5\u30fc\u30bf\u8a00\u8a9e\u306e\u958b\u767a\u306e\u53ce\u76ca\u6027\u306b\u3064\u3044\u3066\u3082\u8abf\u3079\u3066\u307f\u305f\u3044\u3067\u3059\u3002
\nhttps:\/\/www.eyesopen.com\/ants-rants\/dave-weiningers-passing
\n\u629c\u7c8b
\n1) \u201cThe idea is that you plant your flag in the ground and see who rallies round. Someone always does and they become your friends and colleagues.\u201d
\n2) \u201cNever sell anything to someone who doesn\u2019t need it. Yes, you get their money but you won\u2019t get their repeat business and that\u2019s what you really want\u201d
\n3) \u201cIt\u2019s not complicated: You make something for someone and if they like it they come back and next time do a bigger deal\u201d.
\n4) \u201cIf you want to live and work outside the \u2018system\u2019, then you have to live on your wits. But that\u2019s ok\u201d<\/p>\n
SMILES\u306f\u6700\u8fd1\u306eAI\u3068\u89aa\u548c\u6027\u304c\u9ad8\u3044\u306e\u3067\u3001\u3088\u304f\u4f7f\u308f\u308c\u308b\u3088\u3046\u306b\u306a\u3063\u3066\u3044\u307e\u3059\u3002\u6765\u5e74\u306eMaterials Informatics \u306e\u6f14\u7fd2\u3067\u306f\u3053\u308c\u3092\u4f7f\u3063\u3066\u3044\u308d\u3044\u308d\u3084\u308a\u305f\u3044\u3068\u601d\u3063\u3066\u3044\u307e\u3059\u3002<\/p>\n
\u4e0a\u8a18\u8ffd\u60bc\u6587\u304b\u3089\uff1a
\nHave you known anyone who landed one of their planes on a Los Angeles freeway? Or, do you know anyone who bought a Mount Palomar telescope, transported it 900 miles, and installed it in their backyard (after building an observatory, of course)? Maybe you know someone who set up a chemistry lab at home and developed a procedure to remove xanthine derivatives from chocolate so that allergic friends could enjoy a treat? How about someone who meets high level, coat-and-tie executives at major pharmaceutical companies while wearing jeans, sandals and a tee shirt and was still able to make big deals? Lived in a barge in New Orleans? Or, perhaps you know someone who in short order turned a difficult technical task into a straightforward easy-to-use approach that is now used worldwide and revolutionized the field of cheminformatics?<\/p>\n
landed their plane on a freeway \u9ad8\u901f\u9053\u8def\u306b\u81ea\u5bb6\u7528\u6a5f\u3092\u7740\u9678\u3055\u305b\u305f
\nbought a Mount Palomar telescope \u30d1\u30ed\u30de\u5c71\u5929\u6587\u53f0\u306e\u671b\u9060\u93e1\u3092\u4e00\u3064\u8cb7\u3063\u3066
\ntheir backyard\u3000\u5bb6\u306e\u88cf\u5ead
\nan observatory \u5929\u6587\u53f0\/\u89b3\u6e2c\u6240; \u8fd1\u6240\u306e\u5b50\u4f9b\u305f\u3061\u3092\u62db\u3044\u3066\u30d0\u30fc\u30ca\u30fc\u30c9\u661f\u306a\u3069\u3092\u89b3\u6e2c\u3057\u3066\u3044\u305f\u305d\u3046\u3067\u3059\u3002
\nxanthine derivatives\u3000\u30ad\u30b5\u30f3\u30c1\u30f3\u8a98\u5c0e\u4f53
\nchocolate … allergic friends could enjoy a treat\u3000\u30a2\u30ec\u30eb\u30ae\u30fc\u306e\u53cb\u9054\u304c\u30c1\u30e7\u30b3\u30ec\u30fc\u30c8\u3092\u98df\u3079\u3089\u308c\u308b\u3088\u3046\u306b
\na barge \u306f\u3057\u3051; \u5e73\u5e95\u306e\u8377\u821f
\nin short order \u3059\u3050\u7c21\u5358\u306b
\n\u3000I managed to get her out of the room in short order.
\nhalfhearted \u751f\u534a\u53ef\u306a
\nlive on one’s wits \u5c0f\u624d\u3092\u304d\u304b\u305b\u3066\u751f\u304d\u308b\u3001\u304cweblio\u8f9e\u66f8\u306e\u8a33\u3067\u3059\u304c\u3001\u3053\u3053\u306f\u3061\u3087\u3063\u3068\u9055\u3046\u3088\u3046\u306a\u6c17\u304c\u3057\u307e\u3059\u3002\u77e5\u6075\u3092\u7d5e\u3063\u3066\u751f\u304d\u308b\u3001\u304f\u3089\u3044\u304b\uff1f\u3053\u3046\u3044\u3046\u4eba\u304c\u51fa\u3066\u304f\u308b\u306e\u304c\u30a2\u30e1\u30ea\u30ab\u306e\u5f37\u307f\u3067\u3057\u3087\u3046\u3002<\/p>\n
\u5c02\u9580\u7528\u8a9e\u306f\u304a\u4f11\u307f\u3057\u307e\u3059<\/p>\n","protected":false},"excerpt":{"rendered":"
IBM roboRXN\u3067\u306f\u3001\u5206\u5b50\u306e\u8a18\u8ff0\u306bSMILES(simplified molecular-input line-entry system)\u3068\u3044\u3046\u8a18\u6cd5\u3092\u4f7f\u3063\u3066\u3044\u307e\u3059\u3002\u3053\u308c\u306f\u3001\u5206\u5b50\u4e2d\u306e\u539f\u5b50\u306e\u3064\u306a\u304c\u308a\u65b9\u30921\u6b21\u5143\u306e\u6587\u5b57\u5217\u3067\u8a18\u8ff0\u3059\u308b\u65b9\u6cd5\u3067\u30011980\u5e74\u4ee3\u306b\u958b\u767a\u3055\u308c\u307e\u3057\u305f\u3002\u73fe\u5728\u3001\u5927\u90e8\u5206\u306f\u30aa\u30fc\u30d7\u30f3\u30bd\u30fc\u30b9\u3067\u3059\u304c\uff08”RDKit”\u3067\u63a2\u3057\u3066\u307f\u3066\u304f\u3060\u3055\u3044\uff09\u3001SMILES\u306e\u8003\u6848\u8005 David Weininger\u306b\u95a2\u3057\u3066\u306f\u8ffd\u60bc\u6587\u304c\u5c02\u9580\u8a8c\u306b\u3042\u308a\u3001web\u516c\u958b\u3055\u308c\u3066\u3044\u307e\u3059\u3002\u305d\u308c\u306b\u3088\u308b\u3068\u3001\u540c\u6c0f\u306f\u5927\u5b66\u306e\u4eba\u3067\u306f\u306a\u304f\u3001\u4f1a\u793e\u2192\u5927\u5b66\u9662\u3067\u535a\u58eb\u2192\u81ea\u6cbb\u4f53\u3067\u74b0\u5883\u4e2d\u306e\u5316\u5b66\u7269\u8cea\u306e\u6bd2\u6027\u3092\u8abf\u3079\u308b\u2192\u6bd2\u6027\u30c7\u30fc\u30bf\u30d9\u30fc\u30b9\u306e\u305f\u3081\u306bSMI…<\/p>\n","protected":false},"author":1,"featured_media":0,"comment_status":"open","ping_status":"open","sticky":false,"template":"","format":"standard","meta":{"om_disable_all_campaigns":false,"_monsterinsights_skip_tracking":false,"_monsterinsights_sitenote_active":false,"_monsterinsights_sitenote_note":"","_monsterinsights_sitenote_category":0,"footnotes":""},"categories":[43,41,42,44],"tags":[6,4,5,7],"class_list":["post-1110","post","type-post","status-publish","format-standard","hentry","category-companies","category-historicalfigures","category-tech","category-materials","tag-companies","tag-historicalfigures","tag-tech","tag-materials"],"aioseo_notices":[],"_links":{"self":[{"href":"https:\/\/www.sekaiken.com\/index.php?rest_route=\/wp\/v2\/posts\/1110","targetHints":{"allow":["GET"]}}],"collection":[{"href":"https:\/\/www.sekaiken.com\/index.php?rest_route=\/wp\/v2\/posts"}],"about":[{"href":"https:\/\/www.sekaiken.com\/index.php?rest_route=\/wp\/v2\/types\/post"}],"author":[{"embeddable":true,"href":"https:\/\/www.sekaiken.com\/index.php?rest_route=\/wp\/v2\/users\/1"}],"replies":[{"embeddable":true,"href":"https:\/\/www.sekaiken.com\/index.php?rest_route=%2Fwp%2Fv2%2Fcomments&post=1110"}],"version-history":[{"count":0,"href":"https:\/\/www.sekaiken.com\/index.php?rest_route=\/wp\/v2\/posts\/1110\/revisions"}],"wp:attachment":[{"href":"https:\/\/www.sekaiken.com\/index.php?rest_route=%2Fwp%2Fv2%2Fmedia&parent=1110"}],"wp:term":[{"taxonomy":"category","embeddable":true,"href":"https:\/\/www.sekaiken.com\/index.php?rest_route=%2Fwp%2Fv2%2Fcategories&post=1110"},{"taxonomy":"post_tag","embeddable":true,"href":"https:\/\/www.sekaiken.com\/index.php?rest_route=%2Fwp%2Fv2%2Ftags&post=1110"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}