Reaxys: The Shortest Path to Chemistry Data for Successful
Drug Discovery and Development


Validating lead candidates that will succeed in preclinical and clinical trials requires efficient access to relevant and accurate data on chemical reactions and bioactivity.

Thanks to powerful search options, expertly curated
databases and tools to support in silico profiling,
Reaxys and Reaxys Medicinal Chemistry provide
direct access to answers for critical decisions
in drug discovery and development, particularly for
lead validation and optimization.

See how Reaxys can benefit your organization

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Reaxys Customer Story


Hager Biosciences needed reliable access to accurate medicinal chemistry and synthesis data. Reaxys was perfect for their needs.

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How Reaxys Works

Reaxys offers a highly intuitive interface and robust database to help chemists retrieve chemistry literature and datain half the time.

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Reaxys Medicinal Chemistry

Reaxys Medicinal Chemistry empowers hit identification and lead optimization with normalized compound–target affinity data and comprehensive pharmacokinetic, efficacy, toxicity, safety and metabolic profiles.

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What's New

Driven by a rigorous testing with chemists, content and technology experts, the new Reaxys provides even more rapid access to relevant literature and chemical data.

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The Hive: Real Stories. Real Science. Real Time. - The Hive | Elsevier

Real Stories. Real Science. Real Time.

Meet the biotech companies selected to take part in The Hive - Elsevier's new program for startups that provides complimentary access to Elsevier’s suite of solutions to power their R&D. Follow The Hive for first-person stories from the fresh, innovative, and agile world of drug discovery and development and see how these companies are changing the industry’s landscape and improving the lives of patients.

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Example Applications of Reaxys

Understanding Ligand-Receptor Interactions application note, Reaxys

Understanding Ligand-Receptor Interactions

In silico studies at the interface of biology and chemistry can help medicinal chemists and pharmacologists identify innovative leads, optimize selectivity issues and select appropriate test conditions. Using the example of serotonin receptors, this application note looks at how in vitro data from Reaxys Medicinal Chemistry facilitate such studies on the interface of biology and chemistry.

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Ensuring the Safety of New Antipsychotics application note, Reaxys

Ensuring the Safety of New Antipsychotics

Antipsychotics have complex pharmacological profiles and adverse events are common with longterm use. New or optimized drugs with better safety profiles are desirable. Learn how the pX values in Reaxys Medicinal Chemistry simplify comparisons between diverse antipsychotics with a view to better avoidance of harmful drug−drug interactions.

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ReExamining
      the Potential of Barbiturates application note, Reaxys

Re-Examining the Potential of Barbiturates

Derivatives of barbituric acid have diminished in popularity as drugs over the years. Are there really no new indications for these compounds? This paper examines how the pX values in Reaxys® Medicinal Chemistry reveal more about the structure–activity relationships of compounds with this classical medicinal chemistry scaffold.

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The Versatility of 1,4 Benzodiazepines application note, Reaxys

The Versatility of 1,4-Benzodiazepines

Using in silico profiling techniques helps to understand the structure–target interactions of compounds. This paper examines how the pX values in Reaxys® Medicinal Chemistry reveal multiple target families for a whole range of drugs with the classical 1,4-benzodiazepine scaffold.

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Identifying a Polypharmacological Profile for Phenothiazines application note, Reaxys

Identifying a Polypharmacological Profile for Phenothiazines

Considerable information for drug repurposing decisions can be gleaned from indepth comparative assessments of the compound–target affinity profiles of chemical substances. This paper examines how the pX values in Reaxys® Medicinal Chemistry help to generate the polypharmacological profile for the phenothiazines.

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In Silico Investigation of Off-Target
      Effects application note, Reaxys

In Silico Investigation of Off-Target Effects

Early identification of a compound’s potential offtarget effects is not just desirable — it is essential for proper strategic planning. Access to comprehensive data and sophisticated informatics tools, such as Reaxys Medicinal Chemistry, enable in silico discovery of such effects, greatly streamlining this important task.

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QSAR Modeling of ErbB1 Inhibitors Using Genetic Algorithm-Based
      Regression application note, Reaxys

QSAR Modeling of ErbB1 Inhibitors Using Genetic Algorithm-Based Regression

QSAR modeling is a powerful tool in the assessment of new chemical entities. This paper illustrates the use of the Reaxys® Medicinal Chemistry knowledgebase to build efficient QSAR models using ErbB1 kinase as an example.

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Studying the Activity of the Thioureas application note, Reaxys

Studying the Activity of the Thioureas

What is the best way to determine the full panel of activities of drugs? Learn how the Heatmap and pX values in Reaxys Medicinal Chemistry enable in silico studies using the example of multitarget thioureabased compounds.

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Virtual Screening to Identify Calcium Channel Blockers application note, Reaxys

Virtual Screening to Identify Calcium Channel Blockers

The first marketed selective T-type calcium channel blocker mibefradil was withdrawn due to adverse drug interactions, prompting the search for new scaffolds. This paper describes a workflow using Reaxys® Medicinal Chemistry to assess chemical and biological information and the Reaxys Flat File as a source of chemical diversity for ligand-based virtual screening.

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Enabling Data-Driven
      Decisions for Drug Development application note, Reaxys

Enabling Data-Driven Decisions for Drug Development

The goal of Reaxys Medicinal Chemistry is to facilitate the development of smarter leads – leads with optimal affinity, selectivity and ADMET propertiesÍž leads that will not fail in preclinical and clinical phases for reasons that could have been predicted.

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Industry Insights for Pharmaceutical R&D Professionals

Big Data Demands Big Innovation - Reaxys


Big Data Demands Big Innovation

The narrow scope of target-oriented drug creation operates within a fraction of the space that is relevant to the actual use of drugs. What innovative new approaches can overcome this disconnect?

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Enabling Data-Based Decision-Making for Successful Drug Development


Ensuring that data available to researchers is both high quality and easily discoverable is of paramount importance. Discover how Reaxys Medicinal Chemistry delivers high-quality, easily discoverable data.

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Enabling Data-Based Decision-Making for Successful Drug Development, Reaxys