{"id":7823,"date":"2026-05-06T21:35:52","date_gmt":"2026-05-06T21:35:52","guid":{"rendered":"https:\/\/dizainoarkliukas.lt\/?p=7823"},"modified":"2026-05-06T21:35:52","modified_gmt":"2026-05-06T21:35:52","slug":"sis-ai-perskaito-jusu-chemijos-instrukcijas-ir-suranda-geriausia-buda-sukurti-jums-molekule","status":"publish","type":"post","link":"https:\/\/dizainoarkliukas.lt\/?p=7823","title":{"rendered":"\u0160is AI perskaito j\u016bs\u0173 chemijos instrukcijas ir suranda geriausi\u0105 b\u016bd\u0105 sukurti jums molekul\u0119"},"content":{"rendered":"<p><\/p>\n<div style=\"position:relative;overflow:visible;font-size:1.2em;line-height:1.58\">\n<div class=\"pt-8 pb-10 border-t border-b border-decryptGridline \">\n<div id=\"ez-toc-container\" class=\"ez-toc-v2_0_82_2 counter-hierarchy ez-toc-counter ez-toc-grey ez-toc-container-direction\">\n<div class=\"ez-toc-title-container\">\n<p class=\"ez-toc-title\" style=\"cursor:inherit\">Turinys:<\/p>\n<span class=\"ez-toc-title-toggle\"><a href=\"#\" class=\"ez-toc-pull-right ez-toc-btn ez-toc-btn-xs ez-toc-btn-default ez-toc-toggle\" aria-label=\"Toggle Table of Content\"><span class=\"ez-toc-js-icon-con\"><span class=\"\"><span class=\"eztoc-hide\" style=\"display:none;\">Toggle<\/span><span class=\"ez-toc-icon-toggle-span\"><svg style=\"fill: #999;color:#999\" xmlns=\"http:\/\/www.w3.org\/2000\/svg\" class=\"list-377408\" width=\"20px\" height=\"20px\" viewBox=\"0 0 24 24\" fill=\"none\"><path d=\"M6 6H4v2h2V6zm14 0H8v2h12V6zM4 11h2v2H4v-2zm16 0H8v2h12v-2zM4 16h2v2H4v-2zm16 0H8v2h12v-2z\" fill=\"currentColor\"><\/path><\/svg><svg style=\"fill: #999;color:#999\" class=\"arrow-unsorted-368013\" xmlns=\"http:\/\/www.w3.org\/2000\/svg\" width=\"10px\" height=\"10px\" viewBox=\"0 0 24 24\" version=\"1.2\" baseProfile=\"tiny\"><path d=\"M18.2 9.3l-6.2-6.3-6.2 6.3c-.2.2-.3.4-.3.7s.1.5.3.7c.2.2.4.3.7.3h11c.3 0 .5-.1.7-.3.2-.2.3-.5.3-.7s-.1-.5-.3-.7zM5.8 14.7l6.2 6.3 6.2-6.3c.2-.2.3-.5.3-.7s-.1-.5-.3-.7c-.2-.2-.4-.3-.7-.3h-11c-.3 0-.5.1-.7.3-.2.2-.3.5-.3.7s.1.5.3.7z\"\/><\/svg><\/span><\/span><\/span><\/a><\/span><\/div>\n<nav><ul class='ez-toc-list ez-toc-list-level-1 ' ><ul class='ez-toc-list-level-4' ><li class='ez-toc-heading-level-4'><a class=\"ez-toc-link ez-toc-heading-1\" href=\"https:\/\/dizainoarkliukas.lt\/?p=7823\/#Trumpai_tariant\" >Trumpai tariant<\/a><\/li><\/ul><\/li><li class='ez-toc-page-1 ez-toc-heading-level-3'><a class=\"ez-toc-link ez-toc-heading-2\" href=\"https:\/\/dizainoarkliukas.lt\/?p=7823\/#Dienos_apzvalga_Naujienlaiskis\" >Dienos ap\u017evalga Naujienlai\u0161kis<\/a><\/li><\/ul><\/nav><\/div>\n<h4 class=\"sc-b2a202e4-4 bNRGqr gg-dark:text-white\" color=\"#333\"><span class=\"ez-toc-section\" id=\"Trumpai_tariant\"><\/span>Trumpai tariant<span class=\"ez-toc-section-end\"><\/span><\/h4>\n<ul>\n<li class=\"font-meta-serif-pro font-normal text-lg md:text-xl md:leading-9 tracking-px text-body gg-dark:text-neutral-100\">\u201eSynthegy\u201c, sukurta EPFL, naudoja LLM, kad \u012fvertint\u0173 sintez\u0117s b\u016bdus pagal chemiko apibr\u0117\u017etus tikslus ir 71,2 % atvej\u0173 atitikt\u0173 ekspert\u0173 vertinimus.<\/li>\n<li class=\"font-meta-serif-pro font-normal text-lg md:text-xl md:leading-9 tracking-px text-body gg-dark:text-neutral-100\">Sistema buvo patvirtinta pagal 36 nepriklausomus chemikus per 368 vertinimus.<\/li>\n<li class=\"font-meta-serif-pro font-normal text-lg md:text-xl md:leading-9 tracking-px text-body gg-dark:text-neutral-100\">Eksperimentai pasiek\u0117 suderinimo rodiklius, pana\u0161ius \u012f tarpekspert\u0173 susitarim\u0105.<\/li>\n<\/ul>\n<\/div>\n<p><iframe title=\"Spotify Embed: The Decrypt News roundup with TylerD - May 6th\" style=\"border-radius:12px\" width=\"100%\" height=\"152\" frameborder=\"0\" allowfullscreen=\"\" allow=\"autoplay; clipboard-write; encrypted-media; fullscreen; picture-in-picture\" loading=\"lazy\" src=\"https:\/\/open.spotify.com\/embed\/episode\/2yAHGmO1MOaLhpUrx9emG9?utm_source=oembed\"><\/iframe><\/p>\n<p class=\"font-meta-serif-pro scene:font-noto-sans scene:text-base scene:md:text-lg font-normal text-lg md:text-xl md:leading-9 tracking-px text-body gg-dark:text-neutral-100\">Molekul\u0117s suk\u016brimas nuo nulio yra viena i\u0161 sunkiausi\u0173 chemijos problem\u0173. Tai ne tik \u017einojimas, kokius atomus sujungti \u2013 reikia \u017einoti tinkam\u0105 reakcij\u0173 tvark\u0105, kada apsaugoti jautrias molekul\u0117s dalis ir kaip i\u0161vengti aklaviet\u0117s, galin\u010dios su\u017elugdyti m\u0117nesius trukus\u012f laboratorijos darb\u0105.<\/p>\n<p class=\"font-meta-serif-pro scene:font-noto-sans scene:text-base scene:md:text-lg font-normal text-lg md:text-xl md:leading-9 tracking-px text-body gg-dark:text-neutral-100\">Tradici\u0161kai tos \u017einios gyvena patyrusi\u0173 chemik\u0173 galvose. Dabar EPFL komanda nori tai pritaikyti kalbos modeliui.<\/p>\n<p class=\"font-meta-serif-pro scene:font-noto-sans scene:text-base scene:md:text-lg font-normal text-lg md:text-xl md:leading-9 tracking-px text-body gg-dark:text-neutral-100\">Tyr\u0117jai, vadovaujami Philippe&#39;o Schwallerio, \u0161i\u0105 savait\u0119 \u017eurnale \u201eMatter\u201c paskelb\u0117 dokument\u0105, kuriame apra\u0161oma \u201eSynthegy\u201c \u2013 sistema, kuri naudoja didelius kalbos modelius kaip chemin\u0117s sintez\u0117s planavimo motyvavimo variklius. Pagrindin\u0117 \u012f\u017evalga yra subtili, bet svarbi: u\u017euot pra\u0161ydama AI generuoti molekules, komanda naudoja dirbtin\u012f intelekt\u0105, kad \u012fvertint\u0173 sintez\u0117s kelius, kuriuos jau gamina tradicin\u0117 programin\u0117 \u012franga.<\/p>\n<p class=\"font-meta-serif-pro scene:font-noto-sans scene:text-base scene:md:text-lg font-normal text-lg md:text-xl md:leading-9 tracking-px text-body gg-dark:text-neutral-100\">\u0160tai kaip tai veikia: chemikas \u012fveda tiksl\u0105 paprasta angl\u0173 kalba, pana\u0161iai kaip \u201eankstyvosiose stadijose suformuoti pirimidino \u017eied\u0105\u201c. Esama retrosintez\u0117s programin\u0117 \u012franga, kuri veikia suskaidydama tikslines molekules \u012f paprastesnes dalis, sukuria de\u0161imtis ar \u0161imtus galim\u0173 sintez\u0117s b\u016bd\u0173.<\/p>\n<p class=\"font-meta-serif-pro scene:font-noto-sans scene:text-base scene:md:text-lg font-normal text-lg md:text-xl md:leading-9 tracking-px text-body gg-dark:text-neutral-100\">Synthegy kiekvien\u0105 mar\u0161rut\u0105 paver\u010dia tekstu ir perduoda j\u012f LLM, kuris \u012fvertina kiekvien\u0105 mar\u0161rut\u0105 pagal chemiko nurodymus. Geriausi i\u0161kyla \u012f vir\u0161\u0173 su ra\u0161ytiniais paai\u0161kinimais, kod\u0117l.<\/p>\n<div>\n<figure class=\"w-full max-w-full mt-4 overflow-hidden\"><\/figure>\n<\/div>\n<p class=\"font-meta-serif-pro scene:font-noto-sans scene:text-base scene:md:text-lg font-normal text-lg md:text-xl md:leading-9 tracking-px text-body gg-dark:text-neutral-100\">\u201eKuriant \u012frankius chemikams, vartotojo s\u0105saja yra labai svarbi, o ankstesni \u012frankiai r\u0117m\u0117si sud\u0117tingais filtrais ir taisykl\u0117mis\u201c, \u2013 EPFL prane\u0161ime teig\u0117 Andresas M. Branas, pagrindinis tyrimo autorius.<\/p>\n<p class=\"font-meta-serif-pro scene:font-noto-sans scene:text-base scene:md:text-lg font-normal text-lg md:text-xl md:leading-9 tracking-px text-body gg-dark:text-neutral-100\">Sistema buvo patvirtinta dvigubai aklu tyrimu, kuriame dalyvavo 36 nepriklausomi chemikai, kurie per\u017ei\u016br\u0117jo 368 mar\u0161rut\u0173 poras. J\u0173 atranka atitiko Synthegy 71,2 % laiko \u2013 \u0161is skai\u010dius ma\u017edaug atitinka tai, kaip da\u017enai ekspertai chemikai sutaria tarpusavyje. Vyresnieji mokslininkai (profesoriai ir mokslininkai) sutiko su Synthegy da\u017eniau nei doktorantai, o tai rodo, kad sistema fiksuoja tas pa\u010dias strategines intuicijas, kurios ateina su patirtimi.<\/p>\n<p><iframe loading=\"lazy\" style=\"border:0\" src=\"https:\/\/myriad.markets\/embed\/market\/who-ipos-first-d112e68a-b7d1-4991-9f77-ca2db82cdc99\" width=\"100%\" height=\"415px\"><span style=\"width:0px;overflow:hidden;line-height:0\" data-mce-type=\"bookmark\" class=\"mce_SELRES_start\">\ufeff<\/span><\/iframe><\/p>\n<p class=\"font-meta-serif-pro scene:font-noto-sans scene:text-base scene:md:text-lg font-normal text-lg md:text-xl md:leading-9 tracking-px text-body gg-dark:text-neutral-100\">Tyr\u0117jai i\u0161band\u0117 kelis AI modelius, \u012fskaitant GPT-4o, Claude ir DeepSeek-r1. AI jau daugel\u012f met\u0173 ver\u017eiasi \u012f narkotik\u0173 atradim\u0105, ta\u010diau dauguma metod\u0173 orientuoti \u012f siaurai parengtus modelius konkre\u010dioms u\u017eduotims atlikti. \u201eSynthegy\u201c sukurta taip, kad b\u016bt\u0173 modulin\u0117 \u2013 j\u0105 galima prijungti prie bet kurio retrosintez\u0117s variklio u\u017epakalin\u0117je dalyje ir bet kokio galimo LLM argumentavimo pus\u0117je. Gemini-2.5-pro surinko auk\u0161\u010diausi\u0105 bal\u0105 etalone, o DeepSeek-r1 atrodo stipri atvirojo kodo alternatyva, kuri gali veikti vietoje.<\/p>\n<p class=\"font-meta-serif-pro scene:font-noto-sans scene:text-base scene:md:text-lg font-normal text-lg md:text-xl md:leading-9 tracking-px text-body gg-dark:text-neutral-100\">Sistema taip pat sprend\u017eia antr\u0105j\u0105 problem\u0105: reakcijos mechanizmo i\u0161ai\u0161kinim\u0105. Tai yra klausimas, kod\u0117l vyksta chemin\u0117 reakcija \u2013 kokie elektron\u0173 jud\u0117jimai vyksta kiekviename \u017eingsnyje. \u201eSynthegy\u201c suskaido reakcijas \u012f elementarius judesius ir LLM \u012fvertina kiekvien\u0105 \u017eingsn\u012f cheminiu po\u017ei\u016briu. Atliekant paprastas reakcijas, tokias kaip nukleofiliniai pakaitalai, geriausi modeliai pasiek\u0117 beveik tobul\u0105 tikslum\u0105.<\/p>\n<p class=\"font-meta-serif-pro scene:font-noto-sans scene:text-base scene:md:text-lg font-normal text-lg md:text-xl md:leading-9 tracking-px text-body gg-dark:text-neutral-100\">Galimi naudojimo atvejai yra plat\u016bs. Narkotik\u0173 atradimas yra akivaizdus. AI jau parod\u0117 \u017ead\u0105, numatant\u012f v\u0117\u017eio gydymo rezultatus, ta\u010diau tas pats metodas galioja visur, kur chemikams reikia kurti naujas med\u017eiagas arba optimizuoti pramonines reakcijas. Viena praktin\u0117 detal\u0117: 60 kandidat\u0173 mar\u0161rut\u0173 \u012fvertinimas naudojant \u201eSynthegy\u201c u\u017etrunka ma\u017edaug 12 minu\u010di\u0173 ir kainuoja apie 2\u20133 USD API mokes\u010di\u0173.<\/p>\n<div>\n<figure class=\"w-full max-w-full mt-4 overflow-hidden\"><img alt=\"\" loading=\"lazy\" width=\"1678\" height=\"442\" decoding=\"async\" data-nimg=\"1\" class=\"object-contain object-center w-full\" style=\"color:transparent\" sizes=\"auto, (min-width: 640px) 950px, 384px\" srcset=\"https:\/\/img.decrypt.co\/insecure\/rs:fit:16:0:0:0\/plain\/https:\/\/cdn.decrypt.co\/wp-content\/uploads\/2026\/05\/overview.png@webp 16w, https:\/\/img.decrypt.co\/insecure\/rs:fit:32:0:0:0\/plain\/https:\/\/cdn.decrypt.co\/wp-content\/uploads\/2026\/05\/overview.png@webp 32w, https:\/\/img.decrypt.co\/insecure\/rs:fit:48:0:0:0\/plain\/https:\/\/cdn.decrypt.co\/wp-content\/uploads\/2026\/05\/overview.png@webp 48w, https:\/\/img.decrypt.co\/insecure\/rs:fit:64:0:0:0\/plain\/https:\/\/cdn.decrypt.co\/wp-content\/uploads\/2026\/05\/overview.png@webp 64w, https:\/\/img.decrypt.co\/insecure\/rs:fit:96:0:0:0\/plain\/https:\/\/cdn.decrypt.co\/wp-content\/uploads\/2026\/05\/overview.png@webp 96w, https:\/\/img.decrypt.co\/insecure\/rs:fit:128:0:0:0\/plain\/https:\/\/cdn.decrypt.co\/wp-content\/uploads\/2026\/05\/overview.png@webp 128w, https:\/\/img.decrypt.co\/insecure\/rs:fit:256:0:0:0\/plain\/https:\/\/cdn.decrypt.co\/wp-content\/uploads\/2026\/05\/overview.png@webp 256w, https:\/\/img.decrypt.co\/insecure\/rs:fit:384:0:0:0\/plain\/https:\/\/cdn.decrypt.co\/wp-content\/uploads\/2026\/05\/overview.png@webp 384w, https:\/\/img.decrypt.co\/insecure\/rs:fit:640:0:0:0\/plain\/https:\/\/cdn.decrypt.co\/wp-content\/uploads\/2026\/05\/overview.png@webp 640w, https:\/\/img.decrypt.co\/insecure\/rs:fit:750:0:0:0\/plain\/https:\/\/cdn.decrypt.co\/wp-content\/uploads\/2026\/05\/overview.png@webp 750w, https:\/\/img.decrypt.co\/insecure\/rs:fit:828:0:0:0\/plain\/https:\/\/cdn.decrypt.co\/wp-content\/uploads\/2026\/05\/overview.png@webp 828w, https:\/\/img.decrypt.co\/insecure\/rs:fit:1080:0:0:0\/plain\/https:\/\/cdn.decrypt.co\/wp-content\/uploads\/2026\/05\/overview.png@webp 1080w, https:\/\/img.decrypt.co\/insecure\/rs:fit:1200:0:0:0\/plain\/https:\/\/cdn.decrypt.co\/wp-content\/uploads\/2026\/05\/overview.png@webp 1200w, https:\/\/img.decrypt.co\/insecure\/rs:fit:1920:0:0:0\/plain\/https:\/\/cdn.decrypt.co\/wp-content\/uploads\/2026\/05\/overview.png@webp 1920w, https:\/\/img.decrypt.co\/insecure\/rs:fit:2048:0:0:0\/plain\/https:\/\/cdn.decrypt.co\/wp-content\/uploads\/2026\/05\/overview.png@webp 2048w, https:\/\/img.decrypt.co\/insecure\/rs:fit:3840:0:0:0\/plain\/https:\/\/cdn.decrypt.co\/wp-content\/uploads\/2026\/05\/overview.png@webp 3840w\" src=\"https:\/\/img.decrypt.co\/insecure\/rs:fit:3840:0:0:0\/plain\/https:\/\/cdn.decrypt.co\/wp-content\/uploads\/2026\/05\/overview.png@webp\"\/><\/figure>\n<\/div>\n<p class=\"font-meta-serif-pro scene:font-noto-sans scene:text-base scene:md:text-lg font-normal text-lg md:text-xl md:leading-9 tracking-px text-body gg-dark:text-neutral-100\">Straipsnyje pripa\u017e\u012fstamos dabartin\u0117s ribos. LLM kartais klaidingai supranta reakcijos krypt\u012f savo teksto vaizde, tod\u0117l pateikia klaidingus pagr\u012fstumo skambu\u010dius. Ma\u017eesni modeliai veikia ne k\u0105 geriau nei atsitiktinis sp\u0117jimas. Mar\u0161rutus, ilgesnius nei 20 \u017eingsni\u0173, nuosekliai sekti sunkiau.<\/p>\n<p class=\"font-meta-serif-pro scene:font-noto-sans scene:text-base scene:md:text-lg font-normal text-lg md:text-xl md:leading-9 tracking-px text-body gg-dark:text-neutral-100\">Kodas ir lyginamieji standartai yra vie\u0161ai prieinami adresu github.com\/schwallergroup\/steer.<\/p>\n<div class=\"my-4 border-b border-decryptGridline\">\n<div class=\"text-start p-8 md:py-12 md:px-12 max-w-prose relative\"><span class=\"border-t-4 border-l-4 w-4 h-4 md:border-t-(6px) md:border-l-(6px) md:w-6 md:h-6 border-decryptPurple dark:border-decryptNeon gg-dark:border-cc-pink-2 absolute top-4 left-4 md:top-6 md:left-6\"\/><span class=\"border-t-4 border-l-4 w-4 h-4 md:border-t-(6px) md:border-l-(6px) md:w-6 md:h-6 border-decryptPurple dark:border-decryptNeon gg-dark:border-cc-pink-2 absolute rotate-180 bottom-4 right-4 md:bottom-6 md:right-6\"\/><\/p>\n<h3 class=\"font-akzidenz-grotesk font-bold text-xl md:text-3xl md:text-center gg-dark:text-white\"><span class=\"ez-toc-section\" id=\"Dienos_apzvalga_Naujienlaiskis\"><\/span>Dienos ap\u017evalga<!-- --> Naujienlai\u0161kis<span class=\"ez-toc-section-end\"><\/span><\/h3>\n<p>Prad\u0117kite kiekvien\u0105 dien\u0105 nuo populiariausi\u0173 naujien\u0173 dabar ir originali\u0173 funkcij\u0173, tinklalaid\u0117s, vaizdo \u012fra\u0161\u0173 ir kt.<\/p>\n<\/div>\n<\/div>\n<\/div>\n<p><a href=\"https:\/\/decrypt.co\/367048\/ai-chemistry-instructions-build-molecule\"> Nuoroda \u012f informacijos \u0161altin\u012f <\/a><\/p>\n","protected":false},"excerpt":{"rendered":"<p>Trumpai tariant \u201eSynthegy\u201c, sukurta EPFL, naudoja LLM, kad \u012fvertint\u0173 sintez\u0117s b\u016bdus pagal chemiko apibr\u0117\u017etus tikslus ir 71,2 % atvej\u0173 atitikt\u0173&hellip;<\/p>\n","protected":false},"author":1,"featured_media":7824,"comment_status":"","ping_status":"","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":[278],"tags":[5013,10565,1942,10566,5719,2548,10567,10564,1265,1330,1914],"class_list":["post-7823","post","type-post","status-publish","format-standard","has-post-thumbnail","hentry","category-web3","tag-buda","tag-chemijos","tag-geriausia","tag-instrukcijas","tag-jums","tag-jusu","tag-molekule","tag-perskaito","tag-sis","tag-sukurti","tag-suranda"],"aioseo_notices":[],"yoast_head":"<!-- This site is optimized with the Yoast SEO plugin v26.8 - 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