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Reaxys® — Chemistry data and AI to optimize small molecule discovery
Reaxys is a comprehensive chemical database and chemistry search engine that combines a billion chemistry data points with AI search and retrosynthesis tools. Reaxys helps chemists accelerate synthesis planning, competitive analysis and the DMTA cycle.
Trusted data, technology and expertise to support chemistry research
Why do chemists choose Reaxys?
Chemists choose the Reaxys chemistry database because it’s easy to use and has comprehensive content coverage. Reaxys content includes chemical reactions, chemical compounds, substance property and spectral data, target and bioactivity data, chemical patents, chemistry literature, and organic, inorganic and organometallic substances. The Reaxys interface has AI search, Marvin JS and ChemDraw JS structure drawing tools, and extensive filters to focus on critical insights, saving chemists time by providing fast access to chemical reactions, substances and literature. Reaxys datasets are available via API and flat files to power custom chemistry applications, including AI models.
How does Reaxys help chemists design novel compounds and optimize molecular properties?
Reaxys helps chemists design novel, safe and effective compounds with the largest and most reliable set of physicochemical, toxicology and bioactivity data. Chemists can refine molecules in Reaxys using extensive molecular properties, from target affinity to conductivity or solubility. With the chemistry data in Reaxys, chemists can anticipate safety risks, assess the toxicology and ADME profile of compounds, and optimize potency and selectivity of leads with SAR.
How does Reaxys help chemists find shorter, cost-effective synthetic routes?
Reaxys has retrosynthesis software to help chemists predict synthetic routes, evaluate reaction pathways and accelerate synthesis planning in drug and materials research. The Reaxys retrosynthesis software is built on high-quality reaction data and AI models to generate predicted and published synthesis routes. With Reaxys, chemists can analyze and edit reaction steps with access to underlying literature references and experimental conditions all in one view. Reaxys provides the commercial availability and cost of starting materials, so chemists can decide which synthesis routes to take to the lab.
Does Reaxys offer data integration?
Chemists can unify in-house and external chemistry data in a secure, proprietary version of Reaxys. By integrating your chemistry data in Reaxys, you gain a more holistic view of reactions, substances and properties and eliminate duplicate searches across data silos. With more chemical intelligence surfaced in Reaxys, chemists and chemistry teams can make better informed decisions at critical moments in the innovation process.
Connected, configurable solutions to innovate in R&D
Advance your R&D with Elsevier’s Reaxys and a portfolio of solutions for pharmaceutical and chemicals and materials R&D. Strengthen confidence in your business decisions, supported by:
Trusted quality information from peer-reviewed scientific literature to regulatory data
Innovative technology that powers data transformation and analytical and predictive tools
Domain and data science expertise to solve complex problems with data solutions for R&D
Information integrity is essential to your progress. Discover trusted data and tools that deliver critical insights. (Learn more about responsible AI and data privacy in Elsevier AI tools.)
Let's shape progress together.
What are the key features of Reaxys?
121 million documents, 47 million patents
121 million documents, 47 million patents
Reaxys has comprehensive and up-to-date journal and patent coverage from 18,000 journals and 105 patent offices, now searchable with AI.
350 million substances, 500 million physicochemical data points
350 million substances, 500 million physicochemical data points
Reaxys extracts substances, including experimental data (NMR, mass and IR spectra, crystal properties, solubility, etc.), from articles, patents and commercial catalogs.
50 million bioactivities
50 million bioactivities
Reaxys has normalized bioactivity data points with references (in vivo and in vitro toxicity, ADME) and SAR analysis with bioactivity visualization.
Predictive retrosynthesis
Predictive retrosynthesis
Reaxys Predictive Retrosynthesis combines AI technology and 73 million high-quality reactions, including references and experimental procedures.
431 million commercial products
431 million commercial products
Reaxys has up-to-date commercial availability of 168M substances (with price, purity and package size) from 542 suppliers, and an option to define preferred vendors.
Comprehensive, trusted, machine-readable chemistry data
Comprehensive, trusted, machine-readable chemistry data
Reaxys data is available via API or flat file for search, discovery and predictive modeling applications.
Reaxys provides our researchers with rich data and comprehensive perspectives for problem solving, and thus ensures that our synthetic work is based on better solutions.
Rujian Ma
Vice President of Chemistry at WuXi AppTec
Frequently asked questions
Reaxys has one of the world’s most comprehensive collections of curated chemistry data — covering 351 million substances, 71 million reactions, 123 million documents, 48 million patents and 50 million bioactivity data points, along with extensive physicochemical, toxicological and pharmacological properties.
Content in Reaxys is expertly curated from peer-reviewed journals, books, reviews, conference proceedings, letters, 105 global patent offices and major chemistry handbooks, such as the former Beilstein Handbook of Organic Chemistry, and Gmelin Handbook of Inorganic and Organometallic Chemistry.
Reaxys content comes from more than 67,000 journals worldwide. The number of current journal titles actively covered is approximately 19,000.
Reaxys offers greater flexibility in chemical searches as chemists can:
Expand options for searching structures, reactions, keywords and property values
Combine structure and text searches
Use a transparent query process with an easy-to-follow path to results
You can integrate in-house and external data in a proprietary version of Reaxys so that critical in-house knowledge becomes searchable and actionable. This seamless integration sets Reaxys apart from other chemistry research solutions.
Reaxys features the largest collection of new pharma and chemical patents from 105 patent offices. Titles, abstracts and claims are translated to English. With Reaxys, you get the fastest access to substances in newly published patents — only five days after publication.
Accelerate your chemistry research with Reaxys
