Medicinal Chemistry

What does Reaxys Medicinal Chemistry give you?

Choosing the right compound to develop during the pre-clinical phase of drug research saves time and money. Reaxys Medicinal Chemistry is designed to help you select the best possible drug candidate during early discovery so you only put your resources into the most promising candidates.

We give you more data than any other research solution can offer about small molecules, targets and bioactivity. This reveals the connections between compounds, effects and targets and saves you time — you don't have to dig through the literature to find the connections yourself.

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Get more unique data than ever

Reaxys Medicinal Chemistry brings you:

  • Data on over 5 million chemical compounds
  • Information about 11,000 pharmacological targets
  • Over 25 million bioactivity data points
  • Over 300,000 articles from more than 5000 journals
  • More than 90,000 patents

What's more, the data is indexed and normalized for maximum searchability and consistency. Reaxys Medicinal Chemistry isn't just the largest bioactivity resource in the world — it's also the best organized.

Fully control your search

Reaxys Medicinal Chemistry gives you multiple search options that put you in control of your search strategy. Define your bioactivity search with parameters ranging from route through putative action to species. Search for compounds using drawing tools to map the structure or names and registry numbers. Discover crucial medicinal chemistry in comprehensive literature searches. You define your search — the Reaxys algorithms ensure you get relevant answers.

Easily assess your results

Retrieved data are displayed in the interactive results screen. Add filters to exclude or limit to certain data, focus on compounds or targets, or view a complete list of citations.

Crucially, Reaxys Medicinal Chemistry displays compound–target data in the Heatmap View. This lets you see the relationships between compounds and their targets in terms of key parameters, allowing rapid identification of relevant compound–target interactions.

To further facilitate comparisons of biodata from different publications and assay types, all the data points in Reaxys Medicinal Chemistry have pX values. These are normalized values assigned to the data so that you can easily quantify compound–target affinity and compare information from all around the world.

For detailed computational analysis, Reaxys Medicinal Chemistry also allows versatile export of the results in file formats that are compatible with visualization software from major suppliers.

Integrate Reaxys Medicinal Chemistry into your environment

Reaxys Medicinal Chemistry provides you with multiple options to integrate our content better into your existing environment of tools and systems.

The Reaxys Medicinal Chemistry Application Programing Interface (API) allows flexible information delivery and real-time programming access to the Reaxys Medicinal Chemistry content and system. With the Reaxys Medicinal Chemistry API, you can decide how you want to receive our data.

The Reaxys Medicinal Chemistry Flat File (FF) delivers Reaxys structures, related fact and reaction availability data, and bioactivity information for in-house usage. You can use the Reaxys Medicinal Chemistry FF for chemical space analysis, structural analog searching, hit and lead generation through virtual screening, and hit-to-lead optimization using quantitative structure-activity or structure-property relationship (QSAR/QSPR) models.


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