Reaxys Medicinal Chemistry Now Offers the World’s Largest Medicinal Chemistry Database

Reaxys Medicinal Chemistry enables scientists to explore new drug candidates through a comprehensive database with new search features, refined user-interface and integration with Reaxys

Amsterdam, May 12, 2014

Elsevier, a world-leading provider of scientific, technical and medical information products and services, today announced that Reaxys Medicinal Chemistry offers the world’s largest medicinal chemistry database. Reaxys Medicinal Chemistry enables researchers to quickly and confidently identify the most promising compounds to take forward in the drug discovery process by covering critical areas for medicinal chemistry research, including in vivo animal studies, in vitro efficacy, drug pharmacokinetics and toxicity data.

The Reaxys Medicinal Chemistry database contains 25 million bioactivity data points, making it the largest such dataset, with corresponding bioassays on 5.1 million unique substances compiled from 320,000 medicinal chemistry publications and patents, fully indexed and normalized.

Users who subscribe to both Reaxys and Reaxys Medicinal Chemistry will have a comprehensive view of the most relevant bioactivity data and be able to explore the structures and physiochemical properties of other known compounds, via a single integrated interface. With access to the automatic synthesis pathway generator, users can immediately start to work on selected substances. This will facilitate workflows from lead identification to compound synthesis and enable scientists to generate new drug ideas by exploring the chemical space of new compounds.

Additional new features include:

  • Flexible search options – users are now able to choose from bioactivity, substance and literature query themes. The new search interface supports text and chemical structure-based input and dedicated filters allow users to refine results.
  • Heatmap view – provides an overview of the relationships between substances and targets in terms of various parameters; allowing rapid identification of the most relevant compound–target relationships. Users can compare bioactivity data from different publications and assay types, using pX values, aiding the discovery of connections between bioactive compounds and targets.
  • Improved sharing and integration – flexible export of search results in multiple, compatible formats that are easily shared with fellow researchers. In addition, the availability of APIs and SAR Flat File facilitate integration with enterprise systems.

“Chemists in Pharma face many challenges when it comes to developing a drug. They need to understand the relationship between structural functions of a substance and their activity against identified targets, find compounds showing similar activity features to identify the chemical space to move in and synthesize promising candidates,” said Jürgen Swienty-Busch, Director Product Management Chemistry (Reaxys), Elsevier. “This typically requires extensive literature research using many tools and databases with challenges around collecting and comparing data. However, Reaxys and Reaxys Medicinal Chemistry together provide an integrated solution allowing analysis and identification of lead candidates as well as information about synthesis, reactions and physicochemical properties. This product integration reflects how Elsevier’s Life Science Solutions portfolio addresses the needs of researchers in drug discovery and development.”

Reaxys Medicinal Chemistry customers upgraded to the latest version on May 11th. For more information on Reaxys Solutions, go to


About Reaxys®Reaxys® is a workflow solution for research chemists. Offering a wealth of experimentally validated information, Reaxys® combines reaction and substance data in organic, organometallic, inorganic and physical chemistry with synthesis planning. Researchers can get the information they need in a single overview, from source publications carefully selected for their importance and relevance to research chemists. Elsevier continues to engage with the chemistry community to ensure that Reaxys® continues to reflect how chemists think and work. For more information go to Reaxys.

Reaxys and the Reaxys trademark are owned and protected by Reed Elsevier Properties SA and used under license.

About Elsevier
Elsevier is a global information analytics business that helps scientists and clinicians to find new answers, reshape human knowledge, and tackle the most urgent human crises. For 140 years, we have partnered with the research world to curate and verify scientific knowledge. Today, we’re committed to bringing that rigor to a new generation of platforms. Elsevier provides digital solutions and tools in the areas of strategic research management, R&D performance, clinical decision support, and professional education; including ScienceDirect, Scopus, SciVal, ClinicalKey and Sherpath. Elsevier publishes over 2,500 digitized journals, including The Lancet and Cell, 39,000 e-book titles and many iconic reference works, including Gray's Anatomy. Elsevier is part of RELX, a global provider of information-based analytics and decision tools for professional and business customers.

Media contact
Amy Burnis
Director, Strategic Communications
+1 617 803 8344