News

July 2021 newsletter

Flare™ FEP: Competitively combining speed and Figure 4. Comparison of a Star graph and Normal perturbation graph
accuracy with ease of use 

Free Energy Perturbation (FEP) calculations can have the reputation to be expensive in terms of both user and total computational time. Flare FEP significantly lowers this barrier as very accurate FEP results are found quickly and easily.


Easy analysis of Flare FEP results Easy analysis of Flare FEP results

Learn how to easily view and analyze results from Flare FEP experiments in this short web clip.


Cresset Discovery Services: What scientific areas doWhat scientific areas do you specialize in you specialize in? 

Martin Slater, Director of Consulting Services, explains how he and his experienced team of CADD scientists use in silico techniques to help pharmaceutical, agrochemical, flavor and fragrance companies advance their projects from target ID and validation to lead optimization.


OncoArendi licenses Cresset molecule design software to advance the development of new therapeutics

OncoArendi Therapeutics has licensed Flare for use in its internal development research programs. The software will be used to better understand the relationships between chemical structure and observed biological activity.


Webinar • September 14th and 15th

Building predictive QSAR models with Flare

Learn how Flare can be used to build quantitative regression and classification models of SAR. We will demonstrate how to:

  • Predict the activity and ADMET properties of new compounds
  • Prioritize the best molecules to make
  • Build multiple models and choose between them
  • Interpret Field QSAR models
  • Use visual feedback to improve molecule design

Registration is now open.

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