Reaxys® — Chemistry data and AI to optimize small molecule discovery

Chemists choose the Reaxys chemistry database because it’s easy to use, flexible 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.

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.

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.

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.

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.)

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