Lead Discovery powered by TIBCO Spotfire empowers scientific professionals to freely analyze chemistry data and create analytic applications and dashboards. It puts scientists in control, which speeds the time to insight while reducing typical technical bottlenecks to understanding data.
Lead Discovery 8.4 is a sustaining release of Lead Discovery and was focused around updating this key package with Spotfire 11.4LTS support and the latest version of ChemDraw.
Lead Discovery Premium 3.0 extends the core Lead Discovery product with new capabilities for SAR analysis, whether the “S” is small molecule Structure or large molecule Sequence. In addition to Spotfire 11.4LTS support and significant performance enhancements, the 3.0 release includes a host of new chemistry functionality, including:
- New Chemistry visualization that permits most core chemistry calculations to be run via both ChemDraw as well as other open source packages like RDKit. Included chemistry calculations include: multi-core substructure search and R-group decomposition, scaffold extraction, chemical property calculations, and free Wilson analysis.
- New Venn diagram tool that is based on and driven by Spotfire expressions (and thus can be made to update dynamically).
- Single-click compound neighborhood properties calculation and visualization.
Both Lead Discovery and Lead Discovery Premium are available through the PerkinElmer Operations Download Center. If you do not have access to the Download Center, contact PerkinElmer Support to assist you with sign-up. Please contact your Account Manager if you are interested in purchasing.