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Use Reaxys for drug discovery to reach preclinical candidates faster

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

Contact us about using Reaxys for drug discovery

Life sciences chemistry domain and data science expertise

Solve big challenges in drug discovery with Reaxys

Carve your IP niche

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

Patent search icon

Accelerate DMTA cycles

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 Heatmap example

Expedite the synthesis of novel compounds

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

Reaxys Retrosynthesis

Drive innovation with flexible data models and datasets

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(打開新的分頁/視窗)

Reaxys chemistry ecosystem
Fit-for-purpose data is key to meaningful AI for drug discovery whitepaper cover

Data is the bedrock of an accelerated and innovative in silico supported drug pipeline.

Download the whitepaper on data for AI in drug discovery (打開新的分頁/視窗)