{"id":3660543,"date":"2025-02-03T17:41:33","date_gmt":"2025-02-03T22:41:33","guid":{"rendered":"https:\/\/vip2-msd.com\/merckcom-migrated\/?post_type=story&#038;p=3660543"},"modified":"2025-03-14T16:09:30","modified_gmt":"2025-03-14T20:09:30","slug":"our-researchers-incorporate-llms-to-accelerate-drug-discovery-and-development","status":"publish","type":"story","link":"https:\/\/vip2-msd.com\/merckcom-migrated\/stories\/our-researchers-incorporate-llms-to-accelerate-drug-discovery-and-development\/","title":{"rendered":"Our researchers incorporate LLMs to accelerate drug discovery and development"},"content":{"rendered":"\n<div id=\"mco-f1-article-hero-block_81846b73ce67889aedb4944d0eea96a9\" class=\"mco-f1-article-hero mccberg-block\">\n    <div class=\"mco-f1-article-hero-content-container\">\n        \n                            <a href=\"https:\/\/vip2-msd.com\/merckcom-migrated\/content_topic\/innovation\/\">\n                    <small class=\"tagline\">Innovation<\/small>\n                <\/a>\n            \n        \n                    <h1>\n                Our researchers incorporate LLMs to accelerate drug discovery and development\n            <\/h1>\n                            <p>What are artificial intelligence (AI) agents? They&#039;re intelligent systems combining large language models (LLM), AI models and tools to iteratively plan, execute and optimize tasks<\/p>\n            <\/div>\n\n    <div class=\"mco-f1-article-hero-date-container\">\n                    <p class=\"mco-f1-article-hero-date text-descriptive\">February 3, 2025<\/p>\n                <div class=\"mco-f1-article-share-btn-container\">\n                            <p class=\"text-descriptive\">Share this article<\/p>\n                                        <p><a href=\"https:\/\/www.facebook.com\/sharer\/sharer.php?u=https:\/\/vip2-msd.com\/merckcom-migrated\/stories\/our-researchers-incorporate-llms-to-accelerate-drug-discovery-and-development\/\" target=\"_blank\" aria-label=\"Share on Facebook\"><svg xmlns=\"http:\/\/www.w3.org\/2000\/svg\" width=\"16\" height=\"16\" viewBox=\"0 0 16 16\">\n    <path fill=\"#00857C\" fill-rule=\"nonzero\" d=\"M6.023 16L6 9H3V6h3V4c0-2.7 1.672-4 4.08-4 1.153 0 2.144.086 2.433.124v2.821h-1.67c-1.31 0-1.563.623-1.563 1.536V6H13l-1 3H9.28v7H6.023z\" \/>\n<title>Facebook icon<\/title><\/svg>\n<\/a><\/p>\n                <p><a href=\"https:\/\/twitter.com\/intent\/tweet?text=https%3A%2F%2Fvip2-msd.com%2Fmerckcom-migrated%2Fstories%2Four-researchers-incorporate-llms-to-accelerate-drug-discovery-and-development%2F Our researchers incorporate LLMs to accelerate drug discovery and development\" target=\"_blank\" aria-label=\"Share on X\">\n<!-- Generator: Adobe Illustrator 27.7.0, SVG Export Plug-In . SVG Version: 6.00 Build 0)  -->\n<svg xmlns=\"http:\/\/www.w3.org\/2000\/svg\" viewBox=\"0 0 16 16\" width=\"16\" height=\"16\">\n\n\t.st0{fill:#00857C;}\n\n<path class=\"st0\" fill=\"#00857C\" d=\"M9.5,6.8l5.7-6.6h-1.4L8.8,6l-4-5.8H0.3l6,8.7l-6,7h1.4l5.2-6.1l4.2,6.1h4.6L9.5,6.8L9.5,6.8z M7.6,9L7,8.1\n\tL2.2,1.2h2.1l3.9,5.6l0.6,0.9l5.1,7.3h-2.1L7.6,9L7.6,9z\" \/>\n<title>X icon<\/title><\/svg>\n<\/a><\/p>\n                <p><a href=\"https:\/\/www.linkedin.com\/sharing\/share-offsite\/?url=https%3A%2F%2Fvip2-msd.com%2Fmerckcom-migrated%2Fstories%2Four-researchers-incorporate-llms-to-accelerate-drug-discovery-and-development%2F\" target=\"_blank\" aria-label=\"Share on LinkedIn\"><svg xmlns=\"http:\/\/www.w3.org\/2000\/svg\" width=\"16\" height=\"16\" viewBox=\"0 0 16 16\">\n    <path fill=\"#00857C\" fill-rule=\"evenodd\" d=\"M15.205 0H.695C.299 0 0 .3 0 .7v14.7c0 .3.298.6.696.6h14.608c.398 0 .696-.3.696-.7V.7c-.1-.4-.398-.7-.795-.7zM4.671 13.6H2.385V6H4.77v7.6h-.1zM3.578 5c-.795 0-1.392-.7-1.392-1.4 0-.8.597-1.4 1.392-1.4.795 0 1.39.6 1.39 1.4-.098.7-.695 1.4-1.39 1.4zm9.938 8.6H11.13V9.9c0-.9 0-2-1.192-2-1.193 0-1.391 1-1.391 2v3.8H6.16V6h2.286v1c.298-.6 1.093-1.2 2.187-1.2 2.385 0 2.782 1.6 2.782 3.6v4.2h.1z\" \/>\n<title>Linkedin icon<\/title><\/svg>\n<\/a><\/p>\n                <p><a href=\"mailto:?subject=Our researchers incorporate LLMs to accelerate drug discovery and development&#038;body=https:\/\/vip2-msd.com\/merckcom-migrated\/stories\/our-researchers-incorporate-llms-to-accelerate-drug-discovery-and-development\/ What are artificial intelligence (AI) agents? They&#039;re intelligent systems combining large language models (LLM), AI models and tools to iteratively plan, execute and optimize tasks\" target=\"_blank\" aria-label=\"Share via email\"><svg xmlns=\"http:\/\/www.w3.org\/2000\/svg\" width=\"16\" height=\"16\" viewBox=\"0 0 16 16\">\n    <path fill=\"#00857C\" fill-rule=\"nonzero\" d=\"M16 5.7V14c0 .6-.4 1-1 1H1c-.6 0-1-.4-1-1V5.7l7.5 4.2c.28.14.72.14 1 0L16 5.7zM15 1c.6 0 1 .4 1 1v1.5L8 7.9 0 3.4V2c0-.6.4-1 1-1z\" \/>\n<title>Email icon<\/title><\/svg>\n<\/a><\/p>\n                    <\/div>\n    <\/div>\n\n    <div class=\"mco-f1-article-hero-image-container\">\n        <div class=\"mco-f1-article-image-parent \">\n                            <figure class=\"mccberg-figure\">\n                    <picture>\n                        <source\n                            media=\"(max-width: 767px)\"\n                            srcset=\"https:\/\/vip2-msd.com\/merckcom-migrated\/wp-content\/uploads\/sites\/152\/2025\/02\/AI-Agent-Illustration-2.4.25.png?w=321 1x,\n                    https:\/\/vip2-msd.com\/merckcom-migrated\/wp-content\/uploads\/sites\/152\/2025\/02\/AI-Agent-Illustration-2.4.25.png?w=642 2x,\n                    https:\/\/vip2-msd.com\/merckcom-migrated\/wp-content\/uploads\/sites\/152\/2025\/02\/AI-Agent-Illustration-2.4.25.png?w=963 3x\">\n                        <source\n                            media=\"(min-width: 768px) and (max-width: 1199px)\"\n                            srcset=\"https:\/\/vip2-msd.com\/merckcom-migrated\/wp-content\/uploads\/sites\/152\/2025\/02\/AI-Agent-Illustration-2.4.25.png?w=656 1x,\n                    https:\/\/vip2-msd.com\/merckcom-migrated\/wp-content\/uploads\/sites\/152\/2025\/02\/AI-Agent-Illustration-2.4.25.png?w=1312 2x,\n                    https:\/\/vip2-msd.com\/merckcom-migrated\/wp-content\/uploads\/sites\/152\/2025\/02\/AI-Agent-Illustration-2.4.25.png?w=1968 3x\">\n                        <source\n                            media=\"(min-width: 1200px)\"\n                            srcset=\"https:\/\/vip2-msd.com\/merckcom-migrated\/wp-content\/uploads\/sites\/152\/2025\/02\/AI-Agent-Illustration-2.4.25.png?w=1188 1x,\n                    https:\/\/vip2-msd.com\/merckcom-migrated\/wp-content\/uploads\/sites\/152\/2025\/02\/AI-Agent-Illustration-2.4.25.png?w=2376 2x,\n                    https:\/\/vip2-msd.com\/merckcom-migrated\/wp-content\/uploads\/sites\/152\/2025\/02\/AI-Agent-Illustration-2.4.25.png?w=3564 3x\">\n                        <img decoding=\"async\"\n                            src=\"https:\/\/vip2-msd.com\/merckcom-migrated\/wp-content\/uploads\/sites\/152\/2025\/02\/AI-Agent-Illustration-2.4.25.png?w=1188\"\n                            srcset=\"https:\/\/vip2-msd.com\/merckcom-migrated\/wp-content\/uploads\/sites\/152\/2025\/02\/AI-Agent-Illustration-2.4.25.png?w=1188 1x,\n                    https:\/\/vip2-msd.com\/merckcom-migrated\/wp-content\/uploads\/sites\/152\/2025\/02\/AI-Agent-Illustration-2.4.25.png?w=2376 2x,\n                    https:\/\/vip2-msd.com\/merckcom-migrated\/wp-content\/uploads\/sites\/152\/2025\/02\/AI-Agent-Illustration-2.4.25.png?w=3564 3x\"\n                            alt=\"illustration of octopus multitasking\"\n                            loading=\"eager\" fetchpriority=\"high\"\n                        \/>\n                    <\/picture>\n\n                                    <\/figure>\n            \n                    <\/div>\n    <\/div>\n\n            <div class=\"mco-f1-article-hero-modal popup\" style=\"display: none;\">\n            <div class=\"popup-wrapper\">\n                <div class=\"mco-f1-article-hero-modal-content popup-content\">\n                <\/div>\n            <\/div>\n        <\/div>\n    <\/div>\n\n\n\n<p>Did you know that LLMs can be leveraged as master multitaskers? These LLM-based multitaskers, often called AI agents, can execute different tasks simultaneously. Having a team of high-performing AI assistants that can each play different roles ultimately helps researchers at Merck Research Labs (MRL) focus on critical drug discovery and development.<\/p>\n\n\n\n<p>In today\u2019s data-driven world, AI agents are emerging as a powerful tool for researchers and scientists to aid them in navigating the complexities of large data sets, refining hypotheses and executing both repetitive and differentiated tasks efficiently. Done manually, that kind of data gathering and analysis costs time and money.<\/p>\n\n\n\n<h3 class=\"wp-block-heading\">Merck researchers use AI to augment human ability<\/h3>\n\n\n\n<p>A long-standing ambition for AI is to help find major scientific discoveries, learn on its own and acquire knowledge autonomously. This is what some call an \u201cAI scientist.\u201d While this concept is aspirational, advances in agent-based AI can help pave the way for the development of AI agents as conversable systems capable of reflective learning and reasoning that coordinate LLMs, machine learning (ML) tools, or even combinations of them.<\/p>\n\n\n\n<p>Rather than taking humans out of the discovery process, AI can augment human ability to break down a problem into manageable subtasks, which can then be addressed by AI agents with specialized functions for targeted problem solving and integration of scientific knowledge. One significant advantage of these collaborative systems is their capacity for automation. Repetitive tasks, such as data cleaning or preliminary analysis, can be handled by AI agents, freeing our scientists to focus on higher level work and strategic decision making.<\/p>\n\n\n\n<div class=\"wp-block-columns mco-columns-wrapping is-layout-flex wp-container-core-columns-is-layout-9d6595d7 wp-block-columns-is-layout-flex\">\n<div class=\"wp-block-column is-layout-flow wp-block-column-is-layout-flow\" style=\"flex-basis:66.66%\">\n<h3 class=\"wp-block-heading\">\u201cWe&#8217;ve already deployed AI agents, including in development workflows like medical writing, where agents query and assemble knowledge, and evaluate both human and AI writing.&#8221;<\/h3>\n\n\n\n<ul class=\"wp-block-list\">\n<li><strong>Matt Studney<\/strong><br>Senior vice president, information technology, MRL<\/li>\n<\/ul>\n<\/div>\n\n\n\n<div class=\"wp-block-column is-layout-flow wp-block-column-is-layout-flow\" style=\"flex-basis:33.33%\">\n<figure class=\"wp-block-image size-full\"><img loading=\"lazy\" decoding=\"async\" width=\"254\" height=\"254\" src=\"https:\/\/vip2-msd.com\/merckcom-migrated\/wp-content\/uploads\/sites\/152\/2025\/02\/254x254.png\" alt=\"\" class=\"wp-image-3662994\"\/><\/figure>\n<\/div>\n<\/div>\n\n\n\n<p>\u201cWe see broad applicability of AI agents, for example in orchestrating discovery workflows, where agents can help researchers in generating molecular design ideas and insights, optimize assay workflows and generate biology insights integrated across cells, organisms and human genomics,&#8221; he said. &#8220;We see agents making the R&amp;D process faster and crucially driving higher quality results. Agents help capitalize on Merck&#8217;s long-standing investments in AI\/ML by rapidly accelerating the speed of our human researchers at scale.\u201d<\/p>\n\n\n<div id=\"mco-b5-content-block-block_04220996e5ee720559d54c32a62f9bfc\"\n     class=\"mco-b5-content-block mccberg-block mt-2 mb-2 negative left\">\n    <div class=\"wrapper\">\n\t\t\t\t\t\t\t            <div class=\"mco-b5-content-block-image-section \">\n\t\t\t\t                <picture aria-label=\"person on white coat looking at the screen\">\n                                                                        <source media=\"(max-width: 767px)\"\n                                    data-srcset=\"https:\/\/vip2-msd.com\/merckcom-migrated\/wp-content\/uploads\/sites\/152\/2025\/02\/Scientists-RY-3D-Tech-Model-of-lung-0539-1-HI-1.jpg?resize=696,425\" \/>\n                                                                                                <source media=\"(min-width: 768px) and (max-width: 1199px)\"\n            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These LLM-based multitaskers, often called AI agents, can execute different tasks simultaneously. Having a team of high-performing AI assistants that can each play different roles ultimately helps researchers at Merck Research Labs (MRL) focus on critical drug discovery and development. In today\u2019s data-driven world, [&hellip;]<\/p>\n","protected":false},"featured_media":3663057,"template":"","meta":{"_acf_changed":false,"bdl_company_name":[],"bdl_item_external_link":[],"inpsyde_pem_expiration_date":[],"inpsyde_pem_expiration_action":[],"footnotes":""},"tags":[163,165],"content_topic":[6],"admin_field":[],"class_list":["post-3660543","story","type-story","status-publish","has-post-thumbnail","hentry","tag-our-people","tag-research-and-development","content_topic-innovation"],"yoast_head":"<!-- This site is optimized with the Yoast SEO plugin v21.9.1 - https:\/\/yoast.com\/wordpress\/plugins\/seo\/ -->\n<title>Our researchers incorporate LLMs to accelerate drug discovery and development - Merck.com<\/title>\n<meta name=\"description\" content=\"Meet AI agents: Advanced systems that use LLMs, APIs, and data to autonomously plan, execute and refine tasks in real-time.\" \/>\n<meta name=\"robots\" content=\"index, follow, max-snippet:-1, max-image-preview:large, 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wp:acf\/content-block {\"name\":\"acf\/content-block\",\"data\":{\"maintain_image_aspect_ratio\":\"0\",\"_maintain_image_aspect_ratio\":\"content_block_maintain_image_aspect_ratio\",\"negative_style\":\"1\",\"_negative_style\":\"content_block_negative\",\"content_selection\":\"static\",\"_content_selection\":\"content_selction_method\",\"content_block_image\":3652899,\"_content_block_image\":\"content_block_image\",\"content_block_heading\":\"Drug discovery\",\"_content_block_heading\":\"content_block_heading\",\"content_block_body\":\"Drug discovery and development is a complex and lengthy process. 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Our R&amp;D leaders are pushing scientific boundaries at Merck. <a href=\"https:\/\/vip2-msd.com\/merckcom-migrated\/research\/meet-our-scientists\/\">Meet our scientists<\/a>.<\/p>\n<!-- \/wp:paragraph -->\n\n<!-- wp:columns {\"className\":\"mco-columns-wrapping\"} -->\n<div class=\"wp-block-columns mco-columns-wrapping\"><!-- wp:column -->\n<div class=\"wp-block-column\"><!-- wp:image {\"id\":3627832,\"sizeSlug\":\"large\",\"linkDestination\":\"none\"} -->\n<figure class=\"wp-block-image size-large\"><img src=\"https:\/\/vip2-msd.com\/merckcom-migrated\/wp-content\/uploads\/sites\/152\/2023\/09\/Dean__Li.jpg?w=666\" alt=\"photo of Dean Li\" class=\"wp-image-3627832\"\/><\/figure>\n<!-- \/wp:image -->\n\n<!-- wp:paragraph -->\n<p><a href=\"https:\/\/vip2-msd.com\/merckcom-migrated\/meet-our-scientists\/dean-li-md-ph-d\/\"><strong>Dean Li<\/strong><\/a><br>Executive vice president and president, Merck Research Laboratories<\/p>\n<!-- \/wp:paragraph --><\/div>\n<!-- \/wp:column -->\n\n<!-- wp:column -->\n<div class=\"wp-block-column\"><!-- wp:image {\"id\":3627836,\"sizeSlug\":\"large\",\"linkDestination\":\"none\"} -->\n<figure class=\"wp-block-image size-large\"><img src=\"https:\/\/vip2-msd.com\/merckcom-migrated\/wp-content\/uploads\/sites\/152\/2023\/09\/EliavBarr.jpg?w=666\" alt=\"\" class=\"wp-image-3627836\"\/><\/figure>\n<!-- \/wp:image -->\n\n<!-- wp:paragraph -->\n<p><a href=\"https:\/\/vip2-msd.com\/merckcom-migrated\/meet-our-scientists\/eliav-barr-md\/\"><strong>Eliav Barr<\/strong><\/a><br>Senior vice president, head of global clinical development and chief medical officer<\/p>\n<!-- \/wp:paragraph --><\/div>\n<!-- \/wp:column -->\n\n<!-- wp:column -->\n<div class=\"wp-block-column\"><!-- wp:image {\"id\":3636453,\"sizeSlug\":\"large\",\"linkDestination\":\"none\"} -->\n<figure class=\"wp-block-image size-large\"><img src=\"https:\/\/vip2-msd.com\/merckcom-migrated\/wp-content\/uploads\/sites\/152\/2023\/11\/George_AddonaFinal.png?w=666\" alt=\"\" class=\"wp-image-3636453\"\/><\/figure>\n<!-- \/wp:image -->\n\n<!-- wp:paragraph -->\n<p><a href=\"https:\/\/vip2-msd.com\/merckcom-migrated\/meet-our-scientists\/george-addona-ph-d\/\"><strong>George Addona<\/strong><\/a><br>Senior vice president and head, discovery, preclinical development and translational medicine<\/p>\n<!-- \/wp:paragraph --><\/div>\n<!-- \/wp:column --><\/div>\n<!-- \/wp:columns -->\n\n<!-- wp:acf\/content-block {\"name\":\"acf\/content-block\",\"data\":{\"maintain_image_aspect_ratio\":\"0\",\"_maintain_image_aspect_ratio\":\"content_block_maintain_image_aspect_ratio\",\"negative_style\":\"1\",\"_negative_style\":\"content_block_negative\",\"content_selection\":\"static\",\"_content_selection\":\"content_selction_method\",\"content_block_image\":3655596,\"_content_block_image\":\"content_block_image\",\"content_block_heading\":\"Postdoctoral Research Fellows Program\",\"_content_block_heading\":\"content_block_heading\",\"content_block_body\":\"Our Postdoctoral Research Fellows Program aims to be a best-in-industry experience for Ph.D. graduates, providing academic focus in a large pharmaceutical environment.\",\"_content_block_body\":\"content_block_body\",\"content_block_cta\":{\"title\":\"Learn more about our program\",\"url\":\"https:\/\/vip2-msd.com\/merckcom-migrated\/research\/postdoctoral-research-fellows-program\/\",\"target\":\"\"},\"_content_block_cta\":\"content_block_cta\",\"content_block_aria_label\":\"\",\"_content_block_aria_label\":\"content_block_aria_label\",\"content_block_optional_cta\":\"\",\"_content_block_optional_cta\":\"content_block_optional_cta\",\"content_block_optional_cta_aria_label\":\"\",\"_content_block_optional_cta_aria_label\":\"content_block_optional_cta_aria_label\",\"content_block_optional_tag\":\"\",\"_content_block_optional_tag\":\"content_block_optional_tag\",\"content_block_video\":\"\",\"_content_block_video\":\"content_block_video\",\"content_media_position\":\"left\",\"_content_media_position\":\"content_media_position\",\"brightcove_account_id\":\"\",\"_brightcove_account_id\":\"bright_cove_account_id\",\"content_block_video_accessible_name\":\"\",\"_content_block_video_accessible_name\":\"content_block_video_accessible_name\",\"content_block_play_button_accessible_name\":\"\",\"_content_block_play_button_accessible_name\":\"content_block_play_button_accessible_name\",\"content_block_popup_accessible_name\":\"\",\"_content_block_popup_accessible_name\":\"content_block_popup_accessible_name\",\"content_block_popup_close_button_accessible_name\":\"\",\"_content_block_popup_close_button_accessible_name\":\"content_block_popup_close_button_accessible_name\"},\"mode\":\"edit\"} \/-->\n\n<!-- wp:heading -->\n<h2 class=\"wp-block-heading\">Where we work<\/h2>\n<!-- \/wp:heading -->\n\n<!-- wp:paragraph -->\n<p>Research based on innovation is at the core of who we are and what we do. 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