{"id":87168,"date":"2026-01-20T16:26:34","date_gmt":"2026-01-20T15:26:34","guid":{"rendered":"https:\/\/aktuelles.uni-frankfurt.de\/?p=87168"},"modified":"2026-01-20T16:26:35","modified_gmt":"2026-01-20T15:26:35","slug":"ligand-ai-an-international-open-science-initiative-using-ai-to-advance-early-drug-discovery","status":"publish","type":"post","link":"https:\/\/aktuelles.uni-frankfurt.de\/en\/english\/ligand-ai-an-international-open-science-initiative-using-ai-to-advance-early-drug-discovery\/","title":{"rendered":"LIGAND-AI: An international open science initiative using AI to advance early drug discovery"},"content":{"rendered":"<p><em>Goethe University is a partner in the international research initiative to generate open protein-ligand data, and lay the foundation for AI-driven drug discovery.<\/em><\/p>\n\n\n\n<div style=\"height:20px\" aria-hidden=\"true\" class=\"wp-block-spacer\"><\/div>\n\n\n\n<figure class=\"wp-block-image aligncenter size-full\"><img fetchpriority=\"high\" decoding=\"async\" width=\"650\" height=\"450\" src=\"https:\/\/aktuelles.uni-frankfurt.de\/wp-content\/uploads\/2026\/01\/ligand-ai-650x450px.jpg\" alt=\"Hochdurchsatzanalyse: Ein Pipettierroboter bereitet in einem pharmazeutischen Labor der Goethe-Universit\u00e4t Proben f\u00fcr die Proteinanalyse vor. \u00a9 Uwe Dettmar f\u00fcr Goethe-Universit\u00e4t\" class=\"wp-image-87167\" srcset=\"https:\/\/aktuelles.uni-frankfurt.de\/wp-content\/uploads\/2026\/01\/ligand-ai-650x450px.jpg 650w, https:\/\/aktuelles.uni-frankfurt.de\/wp-content\/uploads\/2026\/01\/ligand-ai-650x450px-300x208.jpg 300w, https:\/\/aktuelles.uni-frankfurt.de\/wp-content\/uploads\/2026\/01\/ligand-ai-650x450px-500x346.jpg 500w, https:\/\/aktuelles.uni-frankfurt.de\/wp-content\/uploads\/2026\/01\/ligand-ai-650x450px-18x12.jpg 18w\" sizes=\"(max-width: 650px) 100vw, 650px\" \/><figcaption class=\"wp-element-caption\">High-throughput analysis: A pipetting robot prepares samples for protein analysis in a pharmaceutical laboratory at Goethe University. \u00a9 Uwe Dettmar for Goethe University<\/figcaption><\/figure>\n\n\n\n<div style=\"height:20px\" aria-hidden=\"true\" class=\"wp-block-spacer\"><\/div>\n\n\n\n<p><strong>Artificial intelligence has the potential to greatly improve drug discovery, but there is a lack of open data to train the models. A new international consortium LIGAND-AI brings together academic, industry and technology partners to generate large-scale, high-quality open data describing how small molecules interact with human proteins. The data will then be used to develop and train artificial intelligence (AI) models for hit discovery and optimization, addressing one of the most significant bottlenecks in early drug discovery. LIGAND-AI will be supported over the next five years by the Innovative Health Initiative with more than \u20ac60 million and Goethe University is leading the medicinal chemistry arm of the project.<\/strong><\/p>\n\n\n\n<p>The early phase of drug discovery is a lengthy and costly process with an uncertain outcome. Particularly for targets that have been little studied, identifying the first validated binders \u2013 also known as \u201chits\u201d \u2013 is often time-consuming, error-prone and difficult. The partners of the international LIGAND-AI consortium are convinced that AI models could significantly accelerate this process. However, the necessary experimental data for training such learning systems have so far been lacking.<\/p>\n\n\n\n<p>LIGAND-AI, which is under the leadership of the pharmaceutical company Pfizer and the non-profit organization Structural Genomics Consortium (SGC), aims to change this: Thousands of interactions between small molecules and proteins that are relevant to the development of various diseases will be characterized within the project, including rare neurological and oncological disorders. The data generated will be made available to the AI community in a publicly accessible database, called AIRCHECK.<\/p>\n\n\n\n<p>In addition to playing a key role in data generation, SGC-Frankfurt at Goethe University is leading the medicinal chemistry component of the project, with the aim to rapidly improve the identified binders into potent inhibitors.<\/p>\n\n\n\n<p>Stefan Knapp, Professor of Pharmaceutical Chemistry at Goethe University and Chief Scientific Officer of SGC-Frankfurt, is convinced: \u201cBy linking data obtained from experimental observations with AI models, we are creating a powerful lever for pharmacological research. Moreover, in line with our open-access strategy, the database will be made available to researchers worldwide.\u201d<\/p>\n\n\n\n<div style=\"height:20px\" aria-hidden=\"true\" class=\"wp-block-spacer\"><\/div>\n\n\n\n<p class=\"has-background\" style=\"background-color:#eeeeee\"><strong>About LIGAND-AI:<\/strong><br><br>The LIGAND-AI project partners: Structural Genomics Consortium, European Molecular Biology Laboratory (EMBL), Goethe University Frankfurt, Universidade Estadual de Campinas, University College London, University Health Network, Vall d\u2019Hebron Institute of Oncology (VHIO), Abcam Limited, AstraZeneca UK Limited, Chemspace LLC, Enamine Germany GmbH, IBM Research Israel \u2013 Science and Technology LTD, Novo Nordisk, Nuvisan ICB GmbH, Pfizer Inc, The Hospital for Sick Children in Toronto, Thermo Fisher Scientific GmbH and Vernalis (R&amp;D) Limited.<br><br>LIGAND-AI is a flagship project of the Target 2035 initiative. It is supported by the Innovative Health Initiative Joint Undertaking (IHI JU) under grant agreement No 101252959. The JU receives support from the European Union\u2019s Horizon Europe research and innovative programme, COCIR, EFPIA, EuropaBio, MedTech Europe, Vaccines Europe, Enamine, and The Hospital for Sick Children. Views and opinions expressed are, however, those of the author(s) only and do not necessarily reflect those of the aforementioned parties. Neither of the aforementioned parties can be held responsible for them.<\/p>\n\n\n\n<div style=\"height:20px\" aria-hidden=\"true\" class=\"wp-block-spacer\"><\/div>\n\n\n\n<p class=\"has-background\" style=\"background-color:#eeeeee\"><strong>Links:<\/strong><br>&#8211; <a href=\"https:\/\/www.thesgc.org\/\" target=\"_blank\" rel=\"noreferrer noopener\">Structural Genomics Consortium (SGC) \u2192<\/a><br>&#8211; <a href=\"https:\/\/www.ihi.europa.eu\/\" target=\"_blank\" rel=\"noreferrer noopener\">Innovative Health Initiative (IHI) \u2192<\/a><br>&#8211; <a href=\"https:\/\/www.thesgc.org\/news\/ihi-project-ligand-ai-launches-advance-artificial-intelligence-ai-driven-drug-discovery\" target=\"_blank\" rel=\"noreferrer noopener\">News Release marking the launch of LIGAND-AI \u2192<\/a><br>&#8211; <a href=\"https:\/\/www.aircheck.ai\/\" target=\"_blank\" rel=\"noreferrer noopener\">AIRCHECK database \u2192<\/a><\/p>\n\n\n\n<div style=\"height:20px\" aria-hidden=\"true\" class=\"wp-block-spacer\"><\/div>\n\n\n\n<p class=\"has-background\" style=\"background-color:#eeeeee\"><strong>Contact:<\/strong><br>Professor Stefan Knapp<br>Institute for Pharmaceutical Chemistry<br>and SGC-Frankfurt Chief Scientific Officer<br>Goethe University Frankfurt<br><a href=\"mailto:knapp@pharmchem.uni-frankfurt.de\" target=\"_blank\" rel=\"noreferrer noopener\">knapp@pharmchem.uni-frankfurt.de<\/a><br><a href=\"https:\/\/www.uni-frankfurt.de\/53483664\/Knapp\" target=\"_blank\" rel=\"noreferrer noopener\">https:\/\/www.uni-frankfurt.de\/53483664\/Knapp<\/a><br><br>Structural Genomics Consortium<br>Sofia Melliou, Research Communications Specialist<br><a href=\"mailto:sofia.melliou@thesgc.org\" target=\"_blank\" rel=\"noreferrer noopener\">sofia.melliou@thesgc.org<\/a><\/p>\n\n\n\n<p><\/p>","protected":false},"excerpt":{"rendered":"<p>Goethe University is a partner in the international research initiative to generate open protein-ligand data, and lay the foundation for AI-driven drug discovery. Artificial intelligence has the potential to greatly [&hellip;]<\/p>\n","protected":false},"author":23,"featured_media":87167,"comment_status":"closed","ping_status":"closed","sticky":false,"template":"","format":"standard","meta":{"_eb_attr":"","_price":"","_stock":"","_tribe_ticket_header":"","_tribe_default_ticket_provider":"","_ticket_start_date":"","_ticket_end_date":"","_tribe_ticket_show_description":"","_tribe_ticket_show_not_going":false,"_tribe_ticket_use_global_stock":"","_tribe_ticket_global_stock_level":"","_global_stock_mode":"","_global_stock_cap":"","_tribe_rsvp_for_event":"","_tribe_ticket_going_count":"","_tribe_ticket_not_going_count":"","_tribe_tickets_list":"[]","_tribe_ticket_has_attendee_info_fields":false,"footnotes":""},"categories":[126,254],"tags":[245],"post_folder":[],"class_list":["post-87168","post","type-post","status-publish","format-standard","has-post-thumbnail","hentry","category-english","category-research","tag-pharmacy"],"yoast_head":"<!-- This site is optimized with the Yoast SEO plugin v27.5 - https:\/\/yoast.com\/product\/yoast-seo-wordpress\/ -->\n<title>LIGAND-AI: An international open science initiative using AI to advance early drug discovery | Aktuelles aus der Goethe-Universit\u00e4t Frankfurt<\/title>\n<meta name=\"robots\" content=\"index, follow, max-snippet:-1, max-image-preview:large, max-video-preview:-1\" \/>\n<link rel=\"canonical\" href=\"https:\/\/aktuelles.uni-frankfurt.de\/en\/english\/ligand-ai-an-international-open-science-initiative-using-ai-to-advance-early-drug-discovery\/\" \/>\n<meta property=\"og:locale\" content=\"en_GB\" \/>\n<meta property=\"og:type\" content=\"article\" \/>\n<meta property=\"og:title\" content=\"LIGAND-AI: An international open science initiative using AI to advance early drug discovery | Aktuelles aus der Goethe-Universit\u00e4t Frankfurt\" \/>\n<meta property=\"og:description\" content=\"Goethe University is a partner in the international research initiative to generate open protein-ligand data, and lay the foundation for AI-driven drug discovery. 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