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
How Reaxys Works
Reaxys offers a highly intuitive interface and robust database to help chemists retrieve chemistry literature and datain half the time.
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.
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.
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.
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 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.
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 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.
Read the application note (PDF, 1.1mb)
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.
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 multitarget thioureabased 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 the application note (PDF, 765kb)
Industry Insights for Pharmaceutical R&D Professionals
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?
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.
Read more (PDF, 765kb)