{"id":13238,"date":"2026-03-10T09:51:58","date_gmt":"2026-03-10T00:51:58","guid":{"rendered":"https:\/\/www.pirika.com\/wp\/chemistry-at-pirika-com\/hsp\/examples\/docs\/hspornot-2"},"modified":"2026-03-10T14:53:48","modified_gmt":"2026-03-10T05:53:48","slug":"hspornot","status":"publish","type":"page","link":"https:\/\/www.pirika.com\/wp\/chemistry-at-pirika-com\/hsp\/ymbpro4mi\/hspornot","title":{"rendered":"\u305d\u306e\u6eb6\u89e3\u306fHSP\u4f9d\u5b58\u3060\u308d\u3046\u304b\uff1f"},"content":{"rendered":"\n<link rel=\"stylesheet\" href=\"https:\/\/www.pirika.com\/Images20\/TT.css\">\n<link rel=\"stylesheet\" href=\"https:\/\/www.pirika.com\/Images20\/title.css\">\n<p align=\"right\">2024.7.13<\/p>\n\n<iframe src=\"https:\/\/www.pirika.com\/title.html\" width=\"100%\" id=\"inner-flame\"><\/iframe>\n\n\n\n<p><strong><strong><strong><a href=\"https:\/\/www.pirika.com\/wp\/chemistry-at-pirika-com\">pirika.com\u3067\u5316\u5b66<\/a> <\/strong><br>\u3000><a href=\"https:\/\/www.pirika.com\/wp\/chemistry-at-pirika-com\"><strong>\u30c1\u30e3\u30d4\u30a8\u30e2\u30f3-3rd Pirika Origin (CPO)<\/strong><\/a><br>\u3000<strong>> <a href=\"https:\/\/www.pirika.com\/wp\/chemistry-at-pirika-com\/hsp\">\u30cf\u30f3\u30bb\u30f3\u6eb6\u89e3\u5ea6\u30d1\u30e9\u30e1\u30fc\u30bf (HSP)<\/a><\/strong><br>\u3000\u3000><a href=\"https:\/\/www.pirika.com\/wp\/chemistry-at-pirika-com\/hsp\/hspip\">HSPiP(\u5b9f\u8df5\u30cf\u30f3\u30bb\u30f3\u6eb6\u89e3\u5ea6\u30d1\u30e9\u30e1\u30fc\u30bf\uff09\u30bd\u30d5\u30c8\u30a6\u30a8\u30a2\u30fc<\/a><br>\u3000\u3000> <a href=\"https:\/\/www.pirika.com\/wp\/chemistry-at-pirika-com\/hsp\/how2buy\">HSPiP\u306e\u8cfc\u5165\u65b9\u6cd5<\/a><br>\u3000\u3000> <a href=\"https:\/\/www.pirika.com\/wp\/chemistry-at-pirika-com\/hsp\/examples\">HSPiP\u3092\u7528\u3044\u305f\u89e3\u6790\u4f8b<\/a><br><strong><strong><strong><strong>\u3000\u3000><strong><strong><strong><strong><strong><a href=\"https:\/\/www.pirika.com\/wp\/chemistry-at-pirika-com\/hsp\/ymbpro4mi\"><mark>\u6b21\u4e16\u4ee3HSP<sup>2<\/sup>\u6280\u8853<\/mark><\/a><\/strong><\/strong><\/strong><\/strong><\/strong><\/strong><\/strong><\/strong><\/strong><br>\u3000<strong>> <a href=\"https:\/\/www.pirika.com\/wp\/chemistry-at-pirika-com\/chemistry\">\u5316\u5b66\u5168\u822c<\/a><\/strong><br>\u3000><a href=\"https:\/\/www.pirika.com\/wp\/chemistry-at-pirika-com\/pirikapro\">Pirika \u30c4\u30fc\u30eb\u7fa4<\/a><strong><br><a href=\"https:\/\/www.pirika.com\/wp\/blog\">\u30d6\u30ed\u30b0<\/a><br><a href=\"https:\/\/www.pirika.com\/wp\/services\">\u696d\u52d9\u6848\u5185<\/a> <br><a href=\"https:\/\/www.pirika.com\/wp\/question\">\u304a\u554f\u3044\u5408\u308f\u305b<\/a><\/strong><\/strong><\/strong><\/p>\n\n\n\n<h3 class=\"wp-block-heading\"><mark style=\"background-color:#ffef8e\" class=\"has-inline-color has-bright-red-color\"><strong><mark style=\"background-color:rgba(0, 0, 0, 0)\" class=\"has-inline-color has-bright-red-color\"><strong>\u6ce8\u610f\uff1aHSPiP\u306b\u642d\u8f09\u306e\u6a5f\u80fd\u3067\u306f\u3042\u308a\u307e\u305b\u3093<\/strong><\/mark><\/strong><\/mark><\/h3>\n\n\n\n<p>\u6eb6\u89e3\u6027\u3001\u5206\u6563\u6027\u3092\u691c\u8a0e\u3059\u308b\u306e\u306b\u30cf\u30f3\u30bb\u30f3\u6eb6\u89e3\u5ea6\u30d1\u30e9\u30e1\u30fc\u30bf(HSP)\u3092\u4f7f\u3046\u4f8b\u306f\u3068\u3066\u3082\u5897\u3048\u3066\u304d\u3066\u3044\u308b\u3002HSP\u306e\u958b\u767a\u8005\u3068\u3057\u3066\u306f\u3001\u7814\u7a76\u8005\u51a5\u5229\u306b\u5c3d\u304d\u308b\u3002\u3067\u3082\u6642\u306b\u306f\u7acb\u3061\u6b62\u307e\u3063\u3066\u3088\u304f\u8003\u3048\u3088\u3046\u3002<\/p>\n\n\n\n<p>\u7a2e\u672c\u306f\u30d1\u30eb\u30b9NMR\u3092\u4f7f\u3063\u305f\u7121\u6a5f\u7269\u306e\u5206\u6563\u306e\u8ad6\u6587\u3092\u4f7f\u3063\u3066\u307f\u3088\u3046\u3002<\/p>\n\n\n\n<p>Fast NMR relaxation, powder wettability and Hansen Solubility Parameter analyses applied to particle dispersibility&nbsp;<br>David Fairhurst, Ravi Sharma, Shin-ichi&nbsp;Takeda, Terence Cosgrove, Stuart W. Prescott<br>Powder Technology 377 (2021) 545\u2013552&nbsp;<\/p>\n\n\n\n<figure class=\"wp-block-image size-full\"><a href=\"https:\/\/www.pirika.com\/wp\/wp-content\/uploads\/2024\/07\/image-28.png\"><img loading=\"lazy\" decoding=\"async\" width=\"764\" height=\"349\" src=\"https:\/\/www.pirika.com\/wp\/wp-content\/uploads\/2024\/07\/image-28.png\" alt=\"\" class=\"wp-image-6458\" srcset=\"https:\/\/www.pirika.com\/wp\/wp-content\/uploads\/2024\/07\/image-28.png 764w, https:\/\/www.pirika.com\/wp\/wp-content\/uploads\/2024\/07\/image-28-300x137.png 300w\" sizes=\"auto, (max-width: 764px) 85vw, 764px\" \/><\/a><\/figure>\n\n\n\n<h2 class=\"wp-block-heading\">1\uff1a\u5206\u6563\u306fHSP\u3067\u8aac\u660e\u3067\u304d\u308b\u8aac<\/h2>\n\n\n\n<figure class=\"wp-block-image size-full\"><a href=\"https:\/\/www.pirika.com\/wp\/wp-content\/uploads\/2024\/07\/image-29.png\"><img loading=\"lazy\" decoding=\"async\" width=\"869\" height=\"418\" src=\"https:\/\/www.pirika.com\/wp\/wp-content\/uploads\/2024\/07\/image-29.png\" alt=\"\" class=\"wp-image-6459\" srcset=\"https:\/\/www.pirika.com\/wp\/wp-content\/uploads\/2024\/07\/image-29.png 869w, https:\/\/www.pirika.com\/wp\/wp-content\/uploads\/2024\/07\/image-29-300x144.png 300w, https:\/\/www.pirika.com\/wp\/wp-content\/uploads\/2024\/07\/image-29-768x369.png 768w\" sizes=\"auto, (max-width: 709px) 85vw, (max-width: 909px) 67vw, (max-width: 1362px) 62vw, 840px\" \/><\/a><\/figure>\n\n\n\n<p>Web\u30a2\u30d7\u30ea\u3092\u4f7f\u3063\u3066HSPiP\u7528\u306e\u30c7\u30fc\u30bf\u3092\u4f5c\u308a\u8aad\u307f\u8fbc\u3080\u3002<\/p>\n\n\n\n<figure class=\"wp-block-image size-full\"><a href=\"https:\/\/www.pirika.com\/wp\/wp-content\/uploads\/2024\/07\/image-31.png\"><img loading=\"lazy\" decoding=\"async\" width=\"848\" height=\"495\" src=\"https:\/\/www.pirika.com\/wp\/wp-content\/uploads\/2024\/07\/image-31.png\" alt=\"\" class=\"wp-image-6461\" srcset=\"https:\/\/www.pirika.com\/wp\/wp-content\/uploads\/2024\/07\/image-31.png 848w, https:\/\/www.pirika.com\/wp\/wp-content\/uploads\/2024\/07\/image-31-300x175.png 300w, https:\/\/www.pirika.com\/wp\/wp-content\/uploads\/2024\/07\/image-31-768x448.png 768w\" sizes=\"auto, (max-width: 709px) 85vw, (max-width: 909px) 67vw, (max-width: 1362px) 62vw, 840px\" \/><\/a><\/figure>\n\n\n\n<p><mark style=\"background-color:#ffef8e\" class=\"has-inline-color has-dark-gray-color\"><strong>\u7de9\u548c\u6642\u9593\u306f1\/Relaxation No\u306b\u306a\u308b\u3002<\/strong><\/mark><\/p>\n\n\n\n<figure class=\"wp-block-image size-full\"><a href=\"https:\/\/www.pirika.com\/wp\/wp-content\/uploads\/2025\/07\/image-68.png\"><img loading=\"lazy\" decoding=\"async\" width=\"915\" height=\"503\" src=\"https:\/\/www.pirika.com\/wp\/wp-content\/uploads\/2025\/07\/image-68.png\" alt=\"\" class=\"wp-image-9726\" srcset=\"https:\/\/www.pirika.com\/wp\/wp-content\/uploads\/2025\/07\/image-68.png 915w, https:\/\/www.pirika.com\/wp\/wp-content\/uploads\/2025\/07\/image-68-300x165.png 300w, https:\/\/www.pirika.com\/wp\/wp-content\/uploads\/2025\/07\/image-68-768x422.png 768w\" sizes=\"auto, (max-width: 709px) 85vw, (max-width: 909px) 67vw, (max-width: 1362px) 62vw, 840px\" \/><\/a><\/figure>\n\n\n\n<figure class=\"wp-block-image size-full\"><a href=\"https:\/\/www.pirika.com\/wp\/wp-content\/uploads\/2024\/07\/image-33.png\"><img loading=\"lazy\" decoding=\"async\" width=\"926\" height=\"494\" src=\"https:\/\/www.pirika.com\/wp\/wp-content\/uploads\/2024\/07\/image-33.png\" alt=\"\" class=\"wp-image-6463\" srcset=\"https:\/\/www.pirika.com\/wp\/wp-content\/uploads\/2024\/07\/image-33.png 926w, https:\/\/www.pirika.com\/wp\/wp-content\/uploads\/2024\/07\/image-33-300x160.png 300w, https:\/\/www.pirika.com\/wp\/wp-content\/uploads\/2024\/07\/image-33-768x410.png 768w\" sizes=\"auto, (max-width: 709px) 85vw, (max-width: 909px) 67vw, (max-width: 1362px) 62vw, 840px\" \/><\/a><\/figure>\n\n\n\n<figure class=\"wp-block-image size-full\"><a href=\"https:\/\/www.pirika.com\/wp\/wp-content\/uploads\/2024\/07\/image-34.png\"><img loading=\"lazy\" decoding=\"async\" width=\"911\" height=\"493\" src=\"https:\/\/www.pirika.com\/wp\/wp-content\/uploads\/2024\/07\/image-34.png\" alt=\"\" class=\"wp-image-6464\" srcset=\"https:\/\/www.pirika.com\/wp\/wp-content\/uploads\/2024\/07\/image-34.png 911w, https:\/\/www.pirika.com\/wp\/wp-content\/uploads\/2024\/07\/image-34-300x162.png 300w, https:\/\/www.pirika.com\/wp\/wp-content\/uploads\/2024\/07\/image-34-768x416.png 768w\" sizes=\"auto, (max-width: 709px) 85vw, (max-width: 909px) 67vw, (max-width: 1362px) 62vw, 840px\" \/><\/a><\/figure>\n\n\n\n<figure class=\"wp-block-image size-full\"><a href=\"https:\/\/www.pirika.com\/wp\/wp-content\/uploads\/2024\/07\/image-35.png\"><img loading=\"lazy\" decoding=\"async\" width=\"848\" height=\"505\" src=\"https:\/\/www.pirika.com\/wp\/wp-content\/uploads\/2024\/07\/image-35.png\" alt=\"\" class=\"wp-image-6465\" srcset=\"https:\/\/www.pirika.com\/wp\/wp-content\/uploads\/2024\/07\/image-35.png 848w, https:\/\/www.pirika.com\/wp\/wp-content\/uploads\/2024\/07\/image-35-300x179.png 300w, https:\/\/www.pirika.com\/wp\/wp-content\/uploads\/2024\/07\/image-35-768x457.png 768w\" sizes=\"auto, (max-width: 709px) 85vw, (max-width: 909px) 67vw, (max-width: 1362px) 62vw, 840px\" \/><\/a><\/figure>\n\n\n\n<figure class=\"wp-block-image size-full\"><a href=\"https:\/\/www.pirika.com\/wp\/wp-content\/uploads\/2024\/07\/image-36.png\"><img loading=\"lazy\" decoding=\"async\" width=\"886\" height=\"473\" src=\"https:\/\/www.pirika.com\/wp\/wp-content\/uploads\/2024\/07\/image-36.png\" alt=\"\" class=\"wp-image-6466\" srcset=\"https:\/\/www.pirika.com\/wp\/wp-content\/uploads\/2024\/07\/image-36.png 886w, https:\/\/www.pirika.com\/wp\/wp-content\/uploads\/2024\/07\/image-36-300x160.png 300w, https:\/\/www.pirika.com\/wp\/wp-content\/uploads\/2024\/07\/image-36-768x410.png 768w\" sizes=\"auto, (max-width: 709px) 85vw, (max-width: 909px) 67vw, (max-width: 1362px) 62vw, 840px\" \/><\/a><\/figure>\n\n\n\n<p><\/p>\n\n\n\n<p>\u89e3\u6790\u306b\u7279\u306b\u77db\u76fe\u3082\u306a\u3044\u306e\u3067\u3001HSP\u3060\u3051\u3067\u6eb6\u89e3\u3001\u5206\u6563\u304c\u7406\u89e3\u3067\u304d\u308b\u3068\u8a00\u3063\u3066\u3082\u3044\u3044\u3002<br>\uff08\u7de9\u548c\u6642\u9593\u304c\u77ed\u3044\u65b9\u304c\u7c92\u5b50\u306b\u675f\u7e1b\u3055\u308c\u3084\u3059\u3044\u3068\u3044\u3046\u306e\u3068\u306f\u9006\u306e\u3088\u3046\u306a\u6c17\u304c\u3057\u3066\u3044\u3066\u3001\u6700\u8fd1\u60a9\u3093\u3067\u3044\u308b\u3002<mark style=\"background-color:#ffef8e\" class=\"has-inline-color has-dark-gray-color\"><strong>\u7de9\u548c\u6642\u9593\u306f1\/Relaxation No\u306b\u306a\u308b\u3002<\/strong><\/mark>\u7de9\u548c\u30ca\u30f3\u30d0\u30fc\u304c\u5927\u304d\u3044\u3082\u306e\u306f\u7de9\u548c\u6642\u9593\u304c\u77ed\u304f\u7c92\u5b50\u306b\u675f\u7e1b\u3055\u308c\u3084\u3059\u3044\u3002\u3042\u30fc\u30b9\u30c3\u30ad\u30ea\u3057\u305f\uff09<\/p>\n\n\n\n<h2 class=\"wp-block-heading\">2\uff1aHSP\u306f\u5fc5\u8981\u306a\u3044\u3068\u8a00\u3046\u8aac<\/h2>\n\n\n\n<figure class=\"wp-block-image size-full\"><a href=\"https:\/\/www.pirika.com\/wp\/wp-content\/uploads\/2024\/07\/image-38.png\"><img loading=\"lazy\" decoding=\"async\" width=\"360\" height=\"216\" src=\"https:\/\/www.pirika.com\/wp\/wp-content\/uploads\/2024\/07\/image-38.png\" alt=\"\" class=\"wp-image-6468\" srcset=\"https:\/\/www.pirika.com\/wp\/wp-content\/uploads\/2024\/07\/image-38.png 360w, https:\/\/www.pirika.com\/wp\/wp-content\/uploads\/2024\/07\/image-38-300x180.png 300w\" sizes=\"auto, (max-width: 360px) 85vw, 360px\" \/><\/a><\/figure>\n\n\n\n<p>\u3053\u306e\u6eb6\u5a92\u3092Y-MB24pro\u3067\u8a08\u7b97\u3059\u308b\u3002yED(Yamamoto Electron Donor)\u3068\u30d7\u30ed\u30c3\u30c8\u3059\u308b\u3068\u7dba\u9e97\u306a\u76f8\u95a2\u304c\u3042\u308b\u3002\u4f55\u304b\u3092\u30b9\u30af\u30ea\u30fc\u30cb\u30f3\u30b0\u3059\u308b\u6642\u306b\u306f\u3001\u5358\u4e00\u30d1\u30e9\u30e1\u30fc\u30bf\u306e\u65b9\u304c\u6709\u5229\u3060\u3002<\/p>\n\n\n\n<p>HSPiP\u3067\u8a08\u7b97\u3055\u308c\u305f\u8ddd\u96e2\u306e\u5f0f\u304c\u306a\u308b\u3079\u304f\u77ed\u304f\u306a\u308b\u3002<br>HSP\u8ddd\u96e2 = sqrt(4*(dD-17.5)^2+(dO-14.4)^2+(dH-13.9)^2)<br>1\uff1a<mark style=\"background-color:#ffef8e\" class=\"has-inline-color has-dark-gray-color\">HSP\u304c[17.5, 14.4, 13.9]\u3067\u3042\u308b\u6eb6\u5a92\u3092\u63a2\u7d22\u3057\u305f\u3089\u3044\u3044\u306e\u304b\uff1f<br>2\uff1a\u306a\u308b\u3079\u304f\u5927\u304d\u306ayED\u306e\u6eb6\u5a92\u3092\u63a2\u7d22\u3057\u305f\u65b9\u304c\u3044\u3044\u306e\u304b\uff1f<\/mark><\/p>\n\n\n\n<p>\u3069\u3061\u3089\u304c\u6b63\u3057\u3044\u3068\u306f\u8a00\u3048\u306a\u3044\u3002<br>\u3057\u304b\u3057\u30012\u306e\u30a2\u30d7\u30ed\u30fc\u30c1\u306f\u30c4\u30fc\u30eb\u304c\u5c11\u306a\u304f\u4f59\u308a\u691c\u8a0e\u3055\u308c\u3066\u3053\u306a\u304b\u3063\u305f\u3002<\/p>\n\n\n\n<h2 class=\"wp-block-heading\">MAGICIAN\u7684\u306a\u53d6\u308a\u6271\u3044<\/h2>\n\n\n\n<p>HSPiP\u7528\u306e\u30c7\u30fc\u30bf\u3092\u4f5c\u6210\u3059\u308b\u6642\u306b\u306fCAS\u756a\u53f7\u3068Score\u306e\u30da\u30a2\u3092\u7528\u610f\u3057\u305f\u3002\u3053\u306eCAS\u756a\u53f7\u304c\u3042\u308b\u3068\u3001\u30c7\u30fc\u30bf\u5909\u63db\u306eweb\u30a2\u30d7\u30ea\u3092\u5229\u7528\u3067\u304d\u308b\u3002CAS\u3084Hcode\u304b\u3089Smiles\u3084\u540d\u79f0\u3078\u5909\u63db\u3067\u304d\u308b\u3002<\/p>\n\n\n\n<figure class=\"wp-block-image size-large\"><a href=\"https:\/\/www.pirika.com\/wp\/wp-content\/uploads\/2024\/07\/image-39.png\"><img loading=\"lazy\" decoding=\"async\" width=\"1024\" height=\"501\" src=\"https:\/\/www.pirika.com\/wp\/wp-content\/uploads\/2024\/07\/image-39-1024x501.png\" alt=\"\" class=\"wp-image-6470\" srcset=\"https:\/\/www.pirika.com\/wp\/wp-content\/uploads\/2024\/07\/image-39-1024x501.png 1024w, https:\/\/www.pirika.com\/wp\/wp-content\/uploads\/2024\/07\/image-39-300x147.png 300w, https:\/\/www.pirika.com\/wp\/wp-content\/uploads\/2024\/07\/image-39-768x376.png 768w, https:\/\/www.pirika.com\/wp\/wp-content\/uploads\/2024\/07\/image-39-1536x751.png 1536w, https:\/\/www.pirika.com\/wp\/wp-content\/uploads\/2024\/07\/image-39-1200x587.png 1200w, https:\/\/www.pirika.com\/wp\/wp-content\/uploads\/2024\/07\/image-39.png 1562w\" sizes=\"auto, (max-width: 709px) 85vw, (max-width: 909px) 67vw, (max-width: 1362px) 62vw, 840px\" \/><\/a><\/figure>\n\n\n\n<p>\u3064\u307e\u308a\u3001CAS\u756a\u53f7\u304c\u3042\u308c\u3070SMILES\u306e\u69cb\u9020\u5f0f\u304c\u5f97\u3089\u308c\u308b\u3002<\/p>\n\n\n\n<p>\u5316\u5408\u7269\u306eSMILES\u304b\u3089\u30013\u3064\u306e\u30bf\u30a4\u30d7\u306e\u8b58\u5225\u5b50\u3092\u4f5c\u308a\u51fa\u3059web\u30a2\u30d7\u30ea\u304c\u7528\u610f\u3057\u3066\u3042\u308b\u3002<br>1\u3064\u76ee\u306fY-MB\u3060\u3002HSP\u3068\u3055\u307e\u3056\u307e\u306a\u71b1\u529b\u5b66\u7684\u7269\u6027\u5024\u304c\u5f97\u3089\u308c\u308b\u3002<br>\u3053\u306e\u8b58\u5225\u5b50\u304c\u308f\u308c\u308f\u308c\u306e\u72ec\u81ea\u3067\u3042\u308a\u3001\u4ed6\u306eMI\u3092\u4f7f\u3046Gr\u306b\u5bfe\u3059\u308b\u512a\u4f4d\u306a\u70b9\u306b\u306a\u308b\u3002<\/p>\n\n\n\n<figure class=\"wp-block-image size-large\"><a href=\"https:\/\/www.pirika.com\/wp\/wp-content\/uploads\/2024\/07\/image-41.png\"><img loading=\"lazy\" decoding=\"async\" width=\"1024\" height=\"448\" src=\"https:\/\/www.pirika.com\/wp\/wp-content\/uploads\/2024\/07\/image-41-1024x448.png\" alt=\"\" class=\"wp-image-6472\" srcset=\"https:\/\/www.pirika.com\/wp\/wp-content\/uploads\/2024\/07\/image-41-1024x448.png 1024w, https:\/\/www.pirika.com\/wp\/wp-content\/uploads\/2024\/07\/image-41-300x131.png 300w, https:\/\/www.pirika.com\/wp\/wp-content\/uploads\/2024\/07\/image-41-768x336.png 768w, https:\/\/www.pirika.com\/wp\/wp-content\/uploads\/2024\/07\/image-41-1536x672.png 1536w, https:\/\/www.pirika.com\/wp\/wp-content\/uploads\/2024\/07\/image-41-1200x525.png 1200w, https:\/\/www.pirika.com\/wp\/wp-content\/uploads\/2024\/07\/image-41.png 1834w\" sizes=\"auto, (max-width: 709px) 85vw, (max-width: 909px) 67vw, (max-width: 1362px) 62vw, 840px\" \/><\/a><\/figure>\n\n\n\n<p>\u8b58\u5225\u5b50\u304c38\u7a2e\u985e\u751f\u6210\u3055\u308c\u308b\u3002<\/p>\n\n\n\n<figure class=\"wp-block-image size-large\"><a href=\"https:\/\/www.pirika.com\/wp\/wp-content\/uploads\/2024\/07\/image-42.png\"><img loading=\"lazy\" decoding=\"async\" width=\"1024\" height=\"815\" src=\"https:\/\/www.pirika.com\/wp\/wp-content\/uploads\/2024\/07\/image-42-1024x815.png\" alt=\"\" class=\"wp-image-6473\" srcset=\"https:\/\/www.pirika.com\/wp\/wp-content\/uploads\/2024\/07\/image-42-1024x815.png 1024w, https:\/\/www.pirika.com\/wp\/wp-content\/uploads\/2024\/07\/image-42-300x239.png 300w, https:\/\/www.pirika.com\/wp\/wp-content\/uploads\/2024\/07\/image-42-768x611.png 768w, https:\/\/www.pirika.com\/wp\/wp-content\/uploads\/2024\/07\/image-42-1200x955.png 1200w, https:\/\/www.pirika.com\/wp\/wp-content\/uploads\/2024\/07\/image-42.png 1232w\" sizes=\"auto, (max-width: 709px) 85vw, (max-width: 909px) 67vw, (max-width: 1362px) 62vw, 840px\" \/><\/a><\/figure>\n\n\n\n<p>\u540c\u3058\u3088\u3046\u306bSMILES\u306e\u69cb\u9020\u5f0f\u304b\u3089\u3001\u30c8\u30dd\u30ed\u30b8\u30ab\u30eb\u30fb\u30a4\u30f3\u30c7\u30c3\u30af\u30b9\u306e\u8b58\u5225\u5b50\u3092RDKit web\u30a2\u30d7\u30ea\u304c\u4f5c\u308a\u51fa\u3059\u3002\u5168\u90e8\u306739\u306e\u30d1\u30e9\u30e1\u30fc\u30bf\u3092\u4f5c\u308a\u51fa\u3059\u3002<\/p>\n\n\n\n<p>CNDO\/2\u3068QeQ\u96fb\u8377\u5e73\u8861\u6cd5\u306e\u8a08\u7b97\u3082SMILES\u306e\u69cb\u9020\u5f0f\u304b\u3089\u8a08\u7b97\u3067\u304d\u308b\u3002\u3053\u306eWeb\u30a2\u30d7\u30ea\u308239\u306e\u8b58\u5225\u5b50\u3092\u4f5c\u6210\u3059\u308b\u3002<\/p>\n\n\n\n<figure class=\"wp-block-image size-large\"><a href=\"https:\/\/www.pirika.com\/wp\/wp-content\/uploads\/2024\/07\/image-43.png\"><img loading=\"lazy\" decoding=\"async\" width=\"1024\" height=\"612\" src=\"https:\/\/www.pirika.com\/wp\/wp-content\/uploads\/2024\/07\/image-43-1024x612.png\" alt=\"\" class=\"wp-image-6474\" srcset=\"https:\/\/www.pirika.com\/wp\/wp-content\/uploads\/2024\/07\/image-43-1024x612.png 1024w, https:\/\/www.pirika.com\/wp\/wp-content\/uploads\/2024\/07\/image-43-300x179.png 300w, https:\/\/www.pirika.com\/wp\/wp-content\/uploads\/2024\/07\/image-43-768x459.png 768w, https:\/\/www.pirika.com\/wp\/wp-content\/uploads\/2024\/07\/image-43-1536x919.png 1536w, https:\/\/www.pirika.com\/wp\/wp-content\/uploads\/2024\/07\/image-43-1200x718.png 1200w, https:\/\/www.pirika.com\/wp\/wp-content\/uploads\/2024\/07\/image-43.png 1592w\" sizes=\"auto, (max-width: 709px) 85vw, (max-width: 909px) 67vw, (max-width: 1362px) 62vw, 840px\" \/><\/a><\/figure>\n\n\n\n<p>\u3053\u306e\u3088\u3046\u306a\u76ee\u7684\u5909\u6570\u3068\u8aac\u660e\u5909\u6570\u306e\u7d44\u307f\u304c\u3059\u3050\u306b\u5f97\u3089\u308c\u308b\u3002<\/p>\n\n\n\n<h3 class=\"wp-block-heading\"><a href=\"https:\/\/www.pirika.com\/wp\/chemistry-at-pirika-com\/cheminfo\/ymbproformi\">Pirika24Pro4MI<\/a>\u3067\u5909\u6570\u9078\u629e\u91cd\u56de\u5e30\u6cd5\u3092\u4f7f\u3046<\/h3>\n\n\n\n<figure class=\"wp-block-embed is-type-video is-provider-youtube wp-block-embed-youtube wp-embed-aspect-16-9 wp-has-aspect-ratio\"><div class=\"wp-block-embed__wrapper\">\n<iframe loading=\"lazy\" title=\"\u69d8\u3005\u306a\u7269\u6027\u5024\u304b\u3089\u5909\u6570\u9078\u629e\u6cd5\u3092\u4f7f\u3044\u91cd\u8981\u306a\u30d5\u30a1\u30af\u30bf\u30fc\u3092\u9078\u3073\u51fa\u3059\" width=\"840\" height=\"473\" src=\"https:\/\/www.youtube.com\/embed\/gBwPXI3Kc-8?feature=oembed\" frameborder=\"0\" allow=\"accelerometer; autoplay; clipboard-write; encrypted-media; gyroscope; picture-in-picture; web-share\" referrerpolicy=\"strict-origin-when-cross-origin\" allowfullscreen><\/iframe>\n<\/div><\/figure>\n\n\n\n<p>\u76ee\u7684\u5909\u6570\u306f\u3001\u3044\u308d\u3044\u308d\u306a\u6eb6\u5a92\u306e\u7de9\u548c\u30ca\u30f3\u30d0\u30fc\u306b\u306a\u308b\u3002<br>\u8aac\u660e\u5909\u6570\u306f\u3001Y-MB\u306738, RDkit\u306739, MO\u306739\u8aac\u660e\u5909\u6570\u304c\u3042\u308b\u3002<\/p>\n\n\n\n<p>\u3064\u307e\u308a\u3001\u76ee\u7684\u5909\u6570\u306b\u5bfe\u3057\u3066\u8aac\u660e\u5909\u6570\u304c\u5727\u5012\u7684\u306b\u591a\u3044\u3002<br>\u305d\u306e\u3088\u3046\u306a\u5834\u5408\u3001\u591a\u304f\u306e\u5834\u5408\u3001PCA(\u4e3b\u6210\u5206\u5206\u6790\uff09\u3001PLS\u306a\u3069\u3092\u4f7f\u3063\u3066\u6b21\u5143\u524a\u6e1b\u3057\u30e2\u30c7\u30eb\u3092\u4f5c\u6210\u3059\u308b\u3002Y-MB, RDkit, MO\u306e3\u3064\u306e\u30c6\u30fc\u30d6\u30eb\u306b\u3064\u3044\u3066\u6b21\u5143\u524a\u6e1b\u3057\u30e2\u30c7\u30eb\u3092\u4f5c\u308b\u3053\u3068\u306f\u3067\u304d\u308b\u3002<\/p>\n\n\n\n<p>PCA\u56de\u5e30\u306b\u3064\u3044\u3066\u306f<a href=\"https:\/\/www.pirika.com\/wp\/chemistry-at-pirika-com\/cheminfo\/chemo-info\/pca\">\u4ed6\u3067\u8aac\u660e<\/a>\u3059\u308b\u3002<\/p>\n\n\n\n<p>\u3053\u3053\u3067\u306f\u3001\u5909\u6570\u9078\u629e\u91cd\u56de\u5e30\u306eWeb\u30a2\u30d7\u30ea\u3092\u89e3\u8aac\u3059\u308b\u3002<\/p>\n\n\n\n<p>HSP\u8ddd\u96e2 = sqrt(4*(dD-17.5)^2+(dO-14.4)^2+(dH-13.9)^2)<br>HSP\u8ddd\u96e2\u304c\u77ed\u3051\u308c\u3070\u7de9\u548c\u30ca\u30f3\u30d0\u30fc\u304c\u5927\u304d\u304f\u306a\u308b\u3002<br>\u6eb6\u5a92\u306eHSP\u304c\u308f\u304b\u308c\u3070\u7de9\u548c\u30ca\u30f3\u30d0\u30fc\u306f\u8a08\u7b97\u3067\u51fa\u3059\u3053\u3068\u304c\u3067\u304d\u308b\u3002<\/p>\n\n\n\n<p>\u305d\u308c\u3067\u306f\u3001\u4f8b\u3048\u3070Y-MB\u306e38\u7a2e\u985e\u306e\u8aac\u660e\u5909\u6570\u304b\u3089\u7de9\u548c\u30ca\u30f3\u30d0\u30fc\u306e\u4e88\u6e2c\u5f0f\u3092\u4f5c\u308b\u306b\u306f\u3069\u3046\u3057\u305f\u3089\u826f\u3044\u3060\u308d\u3046\u304b\uff1f<br>\u9023\u7acb\u65b9\u7a0b\u5f0f\u3092\u89e3\u304f\u3068\u304d\u306e\u3053\u3068\u3092\u8003\u3048\u308b\u3068\u3001\u5f0f\u304c12\u500b\u3042\u308b\u306a\u3089\u6700\u5927\u3067\u3082\u8aac\u660e\u5909\u6570\u306f12\u306b\u306a\u308b\u300238\u5909\u6570\u304b\u308912\u500b\u306e\u5909\u6570\u3092\u9078\u3076\u306b\u306f\u300138C12\u306e\u5834\u5408\u306e\u6570\u304c\u3042\u308b\u3002\u305d\u308c\u3092\u8abf\u3079\u308b\u306e\u3082\u53ef\u80fd\u3067\u3042\u308b\u304c\u3001\u3053\u3053\u3067\u306f\u3082\u3063\u3068\u30b7\u30f3\u30d7\u30eb\u306a\u65b9\u6cd5\u3092\u8a66\u3059\u3002<\/p>\n\n\n\n<p>\u7de9\u548c\u30ca\u30f3\u30d0\u30fc\u3092\u8aac\u660e\u3059\u308b\u306e\u306b\u300138\u8aac\u660e\u5909\u6570\u306e\u3046\u3061\u3001\u3069\u306e\u5909\u6570\u304c\u91cd\u8981\u304b\u3092\u8abf\u3079\u308b\u3002<br>\u5909\u6570\u3092\uff12\u500b\u9078\u3073\u3001\u56de\u5e30\u5f0f\u3092\u4f5c\u308b\u3002\u305d\u306e\u6642\u306e\u76f8\u95a2\u4fc2\u6570\u3092\u8a08\u7b97\u3059\u308b\u3002\u5909\u6570\u30923\u3064\u30014\u3064\u3068\u6307\u5b9a\u3057\u3066\u56de\u5e30\u5f0f\u3092\u4f5c\u6210\u3059\u308b\u3002<\/p>\n\n\n\n<figure class=\"wp-block-image size-large\"><a href=\"https:\/\/www.pirika.com\/wp\/wp-content\/uploads\/2024\/07\/image-47.png\"><img loading=\"lazy\" decoding=\"async\" width=\"1024\" height=\"523\" src=\"https:\/\/www.pirika.com\/wp\/wp-content\/uploads\/2024\/07\/image-47-1024x523.png\" alt=\"\" class=\"wp-image-6487\" srcset=\"https:\/\/www.pirika.com\/wp\/wp-content\/uploads\/2024\/07\/image-47-1024x523.png 1024w, https:\/\/www.pirika.com\/wp\/wp-content\/uploads\/2024\/07\/image-47-300x153.png 300w, https:\/\/www.pirika.com\/wp\/wp-content\/uploads\/2024\/07\/image-47-768x392.png 768w, https:\/\/www.pirika.com\/wp\/wp-content\/uploads\/2024\/07\/image-47-1536x785.png 1536w, https:\/\/www.pirika.com\/wp\/wp-content\/uploads\/2024\/07\/image-47-1200x613.png 1200w, https:\/\/www.pirika.com\/wp\/wp-content\/uploads\/2024\/07\/image-47.png 1750w\" sizes=\"auto, (max-width: 709px) 85vw, (max-width: 909px) 67vw, (max-width: 1362px) 62vw, 840px\" \/><\/a><\/figure>\n\n\n\n<p>\u5168\u3066\u306e\u7d44\u307f\u5408\u308f\u305b\u3092\u8a08\u7b97\u3057\u3001\u76f8\u95a2\u4fc2\u6570\u306b\u3088\u3063\u3066\u30bd\u30fc\u30c8\u3059\u308b\u3002<br>\u3069\u308c\u3067\u3082yEDLa\u304c\u9078\u3070\u308c\u308b\u306e\u3067\u3001\u3053\u308c\u304c\u91cd\u8981\u3060\u3068\u308f\u304b\u308b\u3002<\/p>\n\n\n\n<figure class=\"wp-block-image size-large\"><a href=\"https:\/\/www.pirika.com\/wp\/wp-content\/uploads\/2024\/07\/image-44.png\"><img loading=\"lazy\" decoding=\"async\" width=\"1024\" height=\"560\" src=\"https:\/\/www.pirika.com\/wp\/wp-content\/uploads\/2024\/07\/image-44-1024x560.png\" alt=\"\" class=\"wp-image-6475\" srcset=\"https:\/\/www.pirika.com\/wp\/wp-content\/uploads\/2024\/07\/image-44-1024x560.png 1024w, https:\/\/www.pirika.com\/wp\/wp-content\/uploads\/2024\/07\/image-44-300x164.png 300w, https:\/\/www.pirika.com\/wp\/wp-content\/uploads\/2024\/07\/image-44-768x420.png 768w, https:\/\/www.pirika.com\/wp\/wp-content\/uploads\/2024\/07\/image-44-1536x841.png 1536w, https:\/\/www.pirika.com\/wp\/wp-content\/uploads\/2024\/07\/image-44-1200x657.png 1200w, https:\/\/www.pirika.com\/wp\/wp-content\/uploads\/2024\/07\/image-44.png 1714w\" sizes=\"auto, (max-width: 709px) 85vw, (max-width: 909px) 67vw, (max-width: 1362px) 62vw, 840px\" \/><\/a><\/figure>\n\n\n\n<p>\u30af\u30ed\u30b9\u30bf\u30fc\u30e0\u91cd\u56de\u5e30\u8a08\u7b97Web\u30a2\u30d7\u30ea\u3067\u3001\u5909\u6570\u9078\u629e\u3055\u308c\u305f\u9805\u76ee\u304b\u3089\u30e2\u30c7\u30eb\u5f0f\u3092\u4f5c\u308b\u3053\u3068\u304c\u3067\u304d\u308b\u3002\u3053\u3053\u3067\u306f\u3001\u3042\u3048\u3066\u3001dH, dHacid, yEDLa\u3092\u9078\u629e\u3057\u305f\u3002<\/p>\n\n\n\n<p>MVol, COSMO-Vol, MCI\u306e3\u3064\u306e\u8aac\u660e\u5909\u6570\u3067\u3082\u540c\u3058\u30ec\u30d9\u30eb\u306e\u7269\u6027\u63a8\u7b97\u30e2\u30c7\u30eb\u3092\u4f5c\u6210\u3067\u304d\u308b\u3002<\/p>\n\n\n\n<figure class=\"wp-block-image size-large\"><a href=\"https:\/\/www.pirika.com\/wp\/wp-content\/uploads\/2024\/07\/image-45.png\"><img loading=\"lazy\" decoding=\"async\" width=\"1024\" height=\"586\" src=\"https:\/\/www.pirika.com\/wp\/wp-content\/uploads\/2024\/07\/image-45-1024x586.png\" alt=\"\" class=\"wp-image-6476\" srcset=\"https:\/\/www.pirika.com\/wp\/wp-content\/uploads\/2024\/07\/image-45-1024x586.png 1024w, https:\/\/www.pirika.com\/wp\/wp-content\/uploads\/2024\/07\/image-45-300x172.png 300w, https:\/\/www.pirika.com\/wp\/wp-content\/uploads\/2024\/07\/image-45-768x440.png 768w, https:\/\/www.pirika.com\/wp\/wp-content\/uploads\/2024\/07\/image-45-1200x687.png 1200w, https:\/\/www.pirika.com\/wp\/wp-content\/uploads\/2024\/07\/image-45.png 1226w\" sizes=\"auto, (max-width: 709px) 85vw, (max-width: 909px) 67vw, (max-width: 1362px) 62vw, 840px\" \/><\/a><\/figure>\n\n\n\n<p><\/p>\n\n\n\n<p>\u3064\u307e\u308a\u3001\u6eb6\u89e3\u6027\u3001\u5206\u6563\u6027\u306e\u30e2\u30c7\u30eb\u5316\u306bHSP\u306f\u5fc5\u9808\u3067\u306f\u306a\u3044\u3068\u3044\u3046\u3053\u3068\u3060\u3002<\/p>\n\n\n\n<figure class=\"wp-block-image size-large\"><a href=\"https:\/\/www.pirika.com\/wp\/wp-content\/uploads\/2024\/07\/image-46.png\"><img loading=\"lazy\" decoding=\"async\" width=\"1024\" height=\"413\" src=\"https:\/\/www.pirika.com\/wp\/wp-content\/uploads\/2024\/07\/image-46-1024x413.png\" alt=\"\" class=\"wp-image-6477\" srcset=\"https:\/\/www.pirika.com\/wp\/wp-content\/uploads\/2024\/07\/image-46-1024x413.png 1024w, https:\/\/www.pirika.com\/wp\/wp-content\/uploads\/2024\/07\/image-46-300x121.png 300w, https:\/\/www.pirika.com\/wp\/wp-content\/uploads\/2024\/07\/image-46-768x310.png 768w, https:\/\/www.pirika.com\/wp\/wp-content\/uploads\/2024\/07\/image-46-1536x620.png 1536w, https:\/\/www.pirika.com\/wp\/wp-content\/uploads\/2024\/07\/image-46-1200x485.png 1200w, https:\/\/www.pirika.com\/wp\/wp-content\/uploads\/2024\/07\/image-46.png 1580w\" sizes=\"auto, (max-width: 709px) 85vw, (max-width: 909px) 67vw, (max-width: 1362px) 62vw, 840px\" \/><\/a><\/figure>\n\n\n\n<p><\/p>\n\n\n\n<p>RDKit\u306e\u8b58\u5225\u5b50\u3092\u4f7f\u3063\u305f\u5834\u5408\u306b\u306f\u30a2\u30df\u30c9\u57fa\u306e\u6570\u304c\u91cd\u8981\u306a\u3053\u3068\u304c\u308f\u304b\u308b\u3002<br>\u5206\u5b50\u8ecc\u9053\u8a08\u7b97\u3084\u96fb\u8377\u5e73\u8861\u6cd5\u306e\u8a08\u7b97\u7d50\u679c\u3092\u4f7f\u3046\u5834\u5408\u306b\u306fHOMO, LUMO\u304c\u91cd\u8981\u306a\u3053\u3068\u304c\u308f\u304b\u308b\u3002<\/p>\n\n\n\n<p>\u3064\u307e\u308a\u3001HSP\u3092\u4f7f\u308f\u306a\u304f\u3066\u3082\u3001\u6eb6\u89e3\u6027\u3084\u5206\u6563\u6027\u3092\u8a18\u8ff0\u3067\u308b\u3068\u3044\u3046\u3053\u3068\u3060\u3002<\/p>\n\n\n\n<h2 class=\"wp-block-heading\">MAGICIAN\u3067\u3042\u308b\u305f\u3081\u306b<\/h2>\n\n\n\n<p>HSP\u306b\u3053\u3060\u308f\u3089\u305a\u306b\u3001\u4f7f\u3048\u308b\u30d1\u30e9\u30e1\u30fc\u30bf\u306f\u5168\u3066\u5229\u7528\u3057\u3066\u30e2\u30c7\u30eb\u3092\u8003\u3048\u308b\u3002<br>\u7279\u306bBig Data\u3092\u5229\u7528\u3067\u304d\u306a\u3044\u5834\u5408\u306b\u306f\u5fc5\u9808\u3068\u306a\u308b\u8003\u3048\u65b9\u3060\u3002<\/p>\n\n\n\n<hr class=\"wp-block-separator has-alpha-channel-opacity\"\/>\n\n\n\n<p>Copyright pirika.com since 1999-<br>Mail: yamahiro<strong><mark style=\"background-color:rgba(0, 0, 0, 0)\" class=\"has-inline-color has-bright-red-color\">X<\/mark><\/strong>pirika.com (X\u3092@\u306b\u7f6e\u304d\u63db\u3048\u3066\u304f\u3060\u3055\u3044) <br>\u30e1\u30fc\u30eb\u306e\u4ef6\u540d\u306f[<strong><mark style=\"background-color:rgba(0, 0, 0, 0)\" class=\"has-inline-color 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