Inspire your next round of molecule design through insightful analysis

Feb 15, 2022

Posted by Cresset

The analysis of new assay data is integral to making the right design decisions in the Design-Make-Test-Analyze (DMTA) cycle. Combining this analysis with computational predictions and the growing library of scientific literature, enables medicinal and computational chemists to get the best possible design in every cycle. However, the challenge is ensuring that the key information is readily accessible to drug discovery scientists at the moment of inspiration or decision.

Torx™ brings together all your relevant information from disparate sources into a centralized design and analysis platform. You can create new molecule ideas in the context of your data obtained from biological and physio-chemical assays and with 3D structural information from docking or crystal structures. Torx enables all this information to be presented in a central location. Customizable windows enable you to create multiple personalized design, analysis or combined environments and smoothly switch between them to streamline the transition between analyzing and designing. 

Your data is compiled into a customizable and filterable data table that enables you to find the key information you need to make decisions quickly and confidently about the best molecules to progress to synthesis. The ability to assess your team’s design ideas and synthesized compounds graphically whilst also comparing multiple structures in 3D gives you all the tools at your fingertips to inspire your next iteration of molecules. 

Request your recording of our webinar “Inspire your next round of molecule design through insightful analysis” to view a guided tour of the Torx platform, as we demonstrate how to:

  • Create customized views of your molecules and data and switch between them
  • Easily load data sets from multiple data sources
  • Visualize your data graphically using the Plot plugin
  • Compare your compounds in 3D
  • Design new molecules using the 2D and 3D analysis features

To learn how Torx can be integrated into your workflow, please request an evaluation or contact us if you would like any more information.

See all Member News