The shortest path to chemistry data for successful drug discovery and development
Validating lead candidates to increase preclinical and clinical trial success requires fast access to relevant chemical reactions and bioactivity data. Success requires tools that help you realize the potential of data-driven drug discovery and development.
How Reaxys helps
Reaxys helps pharmaceutical companies drive successful early drug discovery by helping chemists retrieve relevant literature, precise compound properties and chemical reaction data twice as fast as any other solution.
With powerful search options, expertly curated databases and tools to support in silico profiling, Reaxys helps chemists:
- Discover chemical structures, properties and reactions
- Find relevant chemistry literature and patents with ease
- Construct queries with streamlined, intuitive interfaces
Ready to take the next step?
- Assess compound synthesis and purchase options
- Share data within and outside an organization or institution
- Compare in-house and published experimental data
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
Empower hit identification and lead optimization with normalized compound–target affinity data and comprehensive PK, efficacy, toxicity, safety and metabolic profiles.
Learn more about Reaxys Medicinal Chemistry
Reaxys' latest product release
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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Example applications of 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.
Ensuring the safety of new antipsychotics
Antipsychotics have complex pharmacological profiles and adverse events are common with long-term 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.
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.
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.
Identifying a polypharmacological profile for phenothiazines
Considerable information for drug repurposing decisions can be gleaned from in-depth 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.
In silico investigation of off-target effects
Early identification of a compound’s potential off-target 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.
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.
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 multi-target thiourea-based compounds.
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.
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 properties; leads that will not fail in preclinical and clinical phases for reasons that could have been predicted.
Read more about data-driven decision-making (PDF, 765kb)
Ideas and insights for industry professionals
The Hive: Real stories. Real science. Real time.
Get first-hand stories and lessons in innovation from a select group of pharmaceutical and biotech startups who are impacting the world of drug discovery and development.
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Holistically addressing drug development
bottlenecks and attrition rates
High-quality data and in silico tools have considerable potential to reduce bottlenecks and attrition rates across the drug development process, if applied innovatively.
Read the white paper
Learn more about Elsevier's R&D Solutions for Drug Discovery & Development
Realize the potential of data-driven drug discovery and development with solutions that help you increase research efficiency and ensure a thriving R&D pipeline.
Learn more about Drug Discovery & Development solutions