New Version of Computational Chemistry Tool Launched
Elsevier, the information analytics company specializing in science and health, has today released a new version of Reaxys Medicinal Chemistry to improve the discoverability and extraction of relevant chemistry data – more than twice as fast as any other solution. The new release has undergone significant usability improvements to deliver a more streamlined and intuitive user interface. This allows any level of user – from beginner to expert – to use the solution with ease. In addition, enhancements have also been made to search functionality, powered by machine learning algorithms. The updates mean Reaxys Medicinal Chemistry is more accessible to a broader audience, helping researchers make better connections between chemical compounds and bioactivity data, and enabling the shortest path from research question to answer.
“The volume of published research grows daily. This is a ‘big data’ problem for medicinal chemists, who are increasingly relying on technology to sift the overwhelming amount of available data for relevant insights,” commented Thibault Geoui, Senior Director of Solution Marketing, R&D Solutions, Elsevier. “With the average chemist spending between 5-10 hours each week hunting for relevant data, these updates provide a next-generation tool that will deliver answers on-demand. With every iteration of Reaxys Medicinal Chemistry and Reaxys we continue to raise the standard for how chemists’ information needs are served. By increasing the scope of what Reaxys Medicinal Chemistry can do, it goes from a structure activity relationship tool, to a true lead-optimization solution.”
Reaxys Medicinal Chemistry now also contains an improved ‘query builder’ with predefined forms containing values and parameters, enabling all levels of users to conduct complex searches. Further, the ‘bioactivity table’ of results is now presented in a far more dynamic way, showing all possible interpretations of a search query on an intermediary results screen. Drug likeness properties can be displayed via a table or graph, depending on users’ needs; the ‘heat map’ of results now also displays in full-screen view and loads results more quickly than before. These changes to the user interface and functionality help users better visualize and navigate results – allowing them to preview findings, see options they might not have considered and select the result set that best fits their needs.
The new release also extends the range of content used as a source of index terms, allowing users to retrieve compound structure, property and reaction data from the full text of more than 18,000 journals, as well as the full range of patent content.
This article has been republished from materials provided by Elsevier. Note: material may have been edited for length and content. For further information, please contact the cited source.