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Reaxys helps you make better-informed decisions for hit-to-lead and lead optimization with: • The largest collection of patents to carve your IP niche • In-vivo/in-vitro bioactivity data for compound design • Award-winning Predictive Retrosynthesis • Datasets for applied analytics and modeling • APIs to integrate data within your chemistry ecosystem
Get deep insights into your competition to differentiate your chemical space. Reaxys helps you:
Identify competitors with up-to-date patent ownership information
Assess the chemical space for your target in 2 clicks
Deep dive into competitor IP, with manually extracted SAR from patents
Get global coverage with 105 patent offices and claims translated to English
Assess the chemical space for your target, and design safe and effective compounds. Reaxys helps you:
Build virtual libraries with the largest compound database
Train QSAR and ligand models with the largest bioactivity database
Inform compound design with SAR, ADME and toxicology data and visualization map
Reaxys combines reaction data with AI/ML technology to enhance your team’s synthetic capabilities:
Get retrosynthesis routes for novel compounds in minutes, including literature references and experimental procedures
Integrate building block libraries for relevant results
Quickly decide whether to make or buy with the largest commercial substance database:
105 million substances (with price, purity and package size) from 460 suppliers
Drive innovation by breaking down data silos:
Make in-house and external data searchable and actionable
Integrate Reaxys data in ELNs and custom applications using the Reaxys API
Build knowledge graphs and develop predictive models with Reaxys datasets:
Reaction flat file
Targets and Bioactivity flat file
Structure flat file
Reaxys API
Download the Chemistry & Bioactivity data factsheet(opens in new tab/window)
Data is the bedrock of an accelerated and innovative in silico supported drug pipeline.
Download the whitepaper on data for AI in drug discovery (opens in new tab/window)