{"id":1583,"date":"2023-06-10T10:12:51","date_gmt":"2023-06-10T10:12:51","guid":{"rendered":"https:\/\/dailyai.com\/?p=1583"},"modified":"2023-06-11T20:16:55","modified_gmt":"2023-06-11T20:16:55","slug":"researchers-build-breakthrough-ai-model-for-drug-discovery","status":"publish","type":"post","link":"https:\/\/dailyai.com\/nb\/2023\/06\/researchers-build-breakthrough-ai-model-for-drug-discovery\/","title":{"rendered":"Forskere bygger banebrytende AI-modell for legemiddeloppdagelse"},"content":{"rendered":"<p><strong>I en <a href=\"https:\/\/news.mit.edu\/2023\/new-model-offers-speedy-drug-discovery-0608\">gjennombruddsstudie<\/a>Forskere fra MIT og Tufts University har utviklet en maskinl\u00e6ringsmetode (ML) for \u00e5 akselerere prosessen med \u00e5 finne nye legemidler.<\/strong><\/p>\n<p>Det finnes enorme legemiddelbiblioteker som inneholder milliarder av ulike stoffer som effektivt kan behandle alt fra kreft til hjertesykdommer. Sp\u00f8rsm\u00e5let er hvordan vi finner dem.<\/p>\n<p>Oppdagelse av nye legemidler har tradisjonelt v\u00e6rt en arbeidskrevende prosess, der forskerne m\u00e5 teste hver potensielle substans mot alle mulige m\u00e5lmolekyler - en tidkrevende og kostbar aff\u00e6re.<\/p>\n<p>For \u00e5 l\u00f8se dette problemet har forskere begynt \u00e5 bruke beregningsmetoder for \u00e5 screene biblioteker av legemiddelforbindelser. Denne tiln\u00e6rmingen er imidlertid fortsatt sv\u00e6rt tidkrevende, ettersom den inneb\u00e6rer \u00e5 beregne hvert m\u00e5lproteins tredimensjonale struktur basert p\u00e5 dets aminosyresekvens.<\/p>\n<p>Teamet ved MIT og Tufts har imidlertid utviklet en ny tiln\u00e6rming basert p\u00e5 en stor spr\u00e5kmodell (LLM), som er den typen modell som driver AI som ChatGPT. Modellen analyserer enorme datamengder for \u00e5 finne ut hvilke aminosyrer som sannsynligvis passer sammen, p\u00e5 samme m\u00e5te som spr\u00e5kmodeller som ChatGPT analyserer enorme mengder tekst for \u00e5 finne ut hvilke ord som passer sammen.<\/p>\n<p>Denne nye modellen, <a href=\"https:\/\/www.pnas.org\/doi\/10.1073\/pnas.2220778120\">ved navn ConPLex<\/a>Modellen matcher m\u00e5lproteiner med potensielle legemiddelmolekyler uten \u00e5 beregne molekylstrukturer. Modellen gjorde det mulig for forskerne \u00e5 screene over 100 millioner forbindelser p\u00e5 \u00e9n dag.<\/p>\n<p>Bonnie Berger, Simons-professor i matematikk og leder for Computation and Biology-gruppen ved MITs Computer Science and Artificial Intelligence Laboratory (CSAIL), sier: \"Dette arbeidet dekker behovet for effektiv og n\u00f8yaktig in silico-screening av potensielle legemiddelkandidater, og modellens skalerbarhet muliggj\u00f8r storskala screening for \u00e5 vurdere off-target-effekter, repurposing av legemidler og bestemme virkningen av mutasjoner p\u00e5 legemiddelbinding.\"<\/p>\n<h2>Kunstig intelligens effektiviserer screening og utvikling av legemidler<\/h2>\n<p>Et av de st\u00f8rste hindrene p\u00e5 feltet har v\u00e6rt at eksisterende modeller har hatt en tendens til ikke \u00e5 utelukke \"lokkemidler\". Disse forbindelsene ligner p\u00e5 vellykkede legemidler, men interagerer ikke godt med m\u00e5let. For \u00e5 utelukke lokkemidler innlemmet teamet et treningsstadium som hjalp modellen med \u00e5 skille mellom ekte legemidler og bedragere.<\/p>\n<p>Forskerne testet ConPLex-modellen ved \u00e5 screene et bibliotek med rundt 4700 legemiddelkandidater mot et sett med 51 enzymer, s\u00e5kalte proteinkinaser.<\/p>\n<p>Etter \u00e5 ha testet 19 av de mest lovende legemiddel-protein-parene eksperimentelt, fant de 12 med sterk bindingsaffinitet til m\u00e5lmolekylet.<\/p>\n<p>Denne studien fokuserte hovedsakelig p\u00e5 sm\u00e5molekyl\u00e6re legemidler, men teamet unders\u00f8ker n\u00e5 hvordan denne tiln\u00e6rmingen kan brukes p\u00e5 andre typer legemidler, for eksempel terapeutiske antistoffer.<\/p>\n<p>Modellen kan ogs\u00e5 brukes til \u00e5 unders\u00f8ke toksisiteten til potensielle legemidler, slik at man kan sikre at de ikke gir u\u00f8nskede bivirkninger f\u00f8r de testes i dyremodeller.<\/p>\n<p>Rohit Singh, forsker ved CSAIL, sier: \"En av grunnene til at det er s\u00e5 dyrt \u00e5 finne nye legemidler, er at det er h\u00f8y feilprosent. Hvis vi kan redusere disse feilprosentene ved \u00e5 si p\u00e5 forh\u00e5nd at dette legemiddelet sannsynligvis ikke vil fungere, kan vi komme et godt stykke p\u00e5 vei i \u00e5 redusere kostnadene ved legemiddeloppdagelse.\"<\/p>\n<p>Eytan Ruppin, sjef for Cancer Data Science Laboratory ved National Cancer Institute, roser tiln\u00e6rmingen som et \"betydelig gjennombrudd innen prediksjon av interaksjoner mellom legemidler og m\u00e5lgrupper\".<\/p>\n<p>I slutten av mai bygget et annet forskerteam fra MIT en modell for antibiotikascreening som fungerte p\u00e5 samme m\u00e5te som denne.<\/p>\n<p>Teamet brukte maskinl\u00e6ring til \u00e5 utforske tusenvis av eksisterende legemidler, og fant ett bestemt stoff som var effektivt mot antibiotikaresistente superbakterier.<\/p>\n<p><a href=\"https:\/\/dailyai.com\/nb\/2023\/05\/ai-helps-researchers-discover-a-new-antibiotic-for-treating-drug-resistant-bacteria\/\">Les mer om det her<\/a>.<\/p>","protected":false},"excerpt":{"rendered":"<p>I en banebrytende studie har forskere fra MIT og Tufts University utviklet en maskinl\u00e6ringsmetode for \u00e5 fremskynde prosessen med \u00e5 finne nye legemidler. Det finnes enorme legemiddelbiblioteker som inneholder milliarder av ulike forbindelser som effektivt kan behandle alt fra kreft til hjertesykdommer. Sp\u00f8rsm\u00e5let er hvordan vi finner dem. Oppdagelse av legemidler har tradisjonelt v\u00e6rt en arbeidskrevende prosess, der forskerne m\u00e5 teste hver potensielle substans mot alle mulige m\u00e5lmolekyler - en tidkrevende og kostbar aff\u00e6re. For \u00e5 l\u00f8se dette problemet har forskere begynt \u00e5 bruke beregningsmetoder for \u00e5 screene biblioteker av legemiddelforbindelser. Denne tiln\u00e6rmingen krever imidlertid fortsatt mye tid, ettersom den<\/p>","protected":false},"author":2,"featured_media":1584,"comment_status":"closed","ping_status":"open","sticky":false,"template":"","format":"standard","meta":{"footnotes":""},"categories":[84],"tags":[105,117,135],"class_list":["post-1583","post","type-post","status-publish","format-standard","has-post-thumbnail","hentry","category-industry","tag-machine-learning","tag-mit","tag-science"],"yoast_head":"<!-- This site is optimized with the Yoast SEO plugin v27.4 - https:\/\/yoast.com\/product\/yoast-seo-wordpress\/ -->\n<title>Researchers build breakthrough AI model for drug discovery | DailyAI<\/title>\n<meta name=\"description\" content=\"MIT and Tufts University researchers built an AI model that vastly accelerates the drug development process.\" \/>\n<meta name=\"robots\" content=\"index, follow, max-snippet:-1, max-image-preview:large, max-video-preview:-1\" \/>\n<link rel=\"canonical\" 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