Elsevier has announced enhancements to Reaxys Medicinal Chemistry that address the critical workflow and data challenges of early drug discovery. The improved discoverability and usability features of Reaxys Medicinal Chemistry, combined with Elsevier’s ability to integrate in-house proprietary data, will improve the efficiency of a variety of data-intensive tasks such as in-silico screening.
Improved content discoverability includes the addition of new bio-taxonomies: species (organism), cell lines, organs, targets and route of administration. These hierarchically organised data trees include synonyms and descriptions and enable full normalisation of terms and concepts. Further features include the ability for users to search with a simple, short phrase-based query that returns accurate and comprehensive results, as well as improved workflow integration that enables users to export data to a variety of research tools. The file format is now fully compatible with third-party tools such as Tibco Spotfire and Biovia Pipeline Pilot.
Establishing reliable compound and bioactivity data for hit identification, hit-to-lead and lead optimisation during the drug development process is time-consuming and resource intensive. The latest enhancements will make it easier for chemists to identify chemical entities with similar structures across multiple content sources. Users now have a variety of possibilities for retrieving high-quality data for in-silico screening and phenotype screening, offering a faster, more cost-effective and accurate alternative to conventional laboratory-based lead optimisation research.
Reaxys Medicinal Chemistry includes access to the world’s largest database of compound bioactivity. It contains 25 million bioactivity data points making it a comprehensive single source for detailed and high-quality information on small molecules.