Reaxys, the chemical database from Elsevier, will be combined with the cutting-edge artificial intelligence technology of Iktos.This advanced platform will enable pharmaceutical companies to identify preclinical drug candidates more quickly.。
On March 4, 2024, Elsevier, a global leader in information and analytics, signed a multi-year agreement with Iktos, an artificial intelligence company specializing in new drug discovery. This collaboration aims to enhance Elsevier's flagship chemistry solution, Reaxys, by integrating Elsevier's high-quality chemical data with Iktos' AI-driven synthesis planning technology, thereby accelerating chemical research for pharmaceutical companies.
Mirit Eldor, Managing Director of Elsevier Life Science Solutions, said: "Our mission is to support R&D teams by leveraging our industry-leading predictive algorithms trained on high-quality data to drive innovation and drug discovery. We are excited to collaborate with Iktos to bring the valuable industry insights provided by Reaxys through artificial intelligence, which will help reshape the landscape of small molecule discovery."This collaboration aims to help research and development organizations significantly reduce the cycles required to complete the "Design-Make-Test-Analyze" process for small molecules, thereby cutting down time and cost in early drug discovery. New predictive models will be introduced to support use cases including retrosynthesis, synthetic accessibility, and other reaction-based analyses.New tools will be provided through Reaxys' user-friendly interface and application programming interfaces (APIs), accelerating research for teams in synthetic, pharmaceutical, computational, and process chemistry within the pharmaceutical industry, agrochemical industry, and contract research organizations (CROs)."Iktos CEO Yann Gaston-Mathé stated, 'Data is the foundation of artificial intelligence, and we are very pleased to collaborate with Elsevier. We will harness the powerful capabilities of Reaxys – a chemical reaction database unparalleled in quantity, diversity, and quality – along with Iktos' leading retrosynthesis AI technology. We are committed to making our technology available to R&D organizations worldwide to maximize the impact of AI on drug discovery.'"The new predictive retrosynthesis and synthesis tools will be based on Iktos's proprietary retrosynthesis technology and trained on Reaxys's reaction database.The tool utilizes a template-based cleavage prediction model, followed by applying a proprietary filter to score the feasibility of reactions, incorporating both chemical and regioselectivity parameters. The solution will offer an advanced search functionality for retrieval, capable of providing promising candidate routes within minutes. The new tool will introduce several exciting new features, including stereochemistry support, defining the first cleavage, including or excluding intermediates, avoiding regioselectivity conflicts, and setting price limits for starting materials. Additionally, customers will have the option to customize the underlying model, including proprietary reaction and starting material libraries.About Reaxys
Reaxys is an Elsevier-owned research platform based on deep data refinement and mining, capable of integrating internal and external chemistry-related data, and combining information retrieval, information analysis, and data science applications. Reaxys provides the most comprehensive manually extracted and curated databases of chemical and bioactivity information.Covering more than 1 billion published experimental facts, including 280 million organic, inorganic, and organometallic compounds, 74 million chemical reactions, 46 million bioactivities, from over 110 million documents, including patents and journals.
The Reaxys database itself has also developed various methods for retrieving and accessing these scientific data, while also utilizing this data.AI Retrosynthesis Route Design Tool for Novel Compound DevelopmentUsers of Reaxys can also integrate external scientific data from Reaxys with their own internal scientific data.A platform that simultaneously retrieves and analyzes internal and external data, and can also integrate Reaxys' structured data for AI model training.
About Elsevier
As a global leader in information and analytics, Elsevier helps researchers and healthcare professionals advance science, improve health outcomes, and benefit society. We achieve this by providing insights and critical decision support to our customers within the global research and healthcare ecosystem. In all our publications, we adhere to the highest standards of quality and integrity. We will bring the same level of rigor to the information analytics solutions we provide for researchers, healthcare professionals, institutions, and funders.
Elsevier has more than 9,000 employees globally, including approximately 2,500 technical experts. For over 140 years, we have supported the work of our partners in the research and healthcare fields. Elsevier provides users with knowledge and valuable analytics, helping them achieve breakthroughs and drive social progress. InStrategic Research Management, R&D Performance, Clinical Decision Support, and Professional EducationProvide digital solutions and tools in the field, including ScienceDirect, Scopus, SciVal, ClinicalKey, and Sherpath. Elsevier publishes more than 2,800 digital journals such as The Lancet and Cell, over 46,000 e-books, and many classic reference works like Gray’s Anatomy. Together with the Elsevier Foundation and our external Inclusion and Diversity Advisory Board, we collaborate with diverse stakeholders to advance the inclusivity and diversity of science, research, and healthcare in developing countries and around the world.Elsevier is a member of RELX Group, which provides information analysis services and solutions in the fields of science, healthcare, legal, and business to professionals and commercial customers worldwide.Iktos is a company from France that focuses on developing artificial intelligence solutions for chemical research, more specifically in medicinal chemistry and new drug design. Iktos has developed a proprietary and innovative solution based on generative deep learning models, which allows for the design of optimized molecules in a way that meets all success criteria for small molecule discovery projects, starting from existing data. The use of Iktos' technology platform can significantly enhance productivity in the early stages of pharmaceutical R&D. Iktos provides both professional services and technology as a SaaS software platform, namely Makya™. Iktos has also developed Spaya™, a synthesis planning software based on Iktos' proprietary AI technology. Iktos has validated the feasibility of its technology through collaborations with over 50 pharmaceutical and biotechnology companies, including Chiesi Group, Galapagos, Janssen, Merck, Teijin, Ono Pharmaceutical, Pfizer, Servier, and UCB.?Reply "reaxys" in the background to learn more about the trial information.
