SOFTWARE
Modern ligand-based workbench providing an informative approach to molecule design and SAR analysis
Request an evaluationDecipher complex SAR and inform new molecule design. Quantitative and qualitative models can be generated using both 2D and 3D descriptions of similarity.
Rapidly navigate complex SAR, highlighting key activity changes. Activity Miner gives you a clear rationale for changes in activity and provides inspiration for how to exploit this knowledge in future design iterations.
Summarize your SAR for a series into a visual 3D model that informs design decisions and helps prioritize molecules for synthesis. Activity Atlas is a highly efficient method for extracting key insights from your SAR.
Generate the most accurate field pharmacophores available. Understand how your active compounds interact with their protein target and which parts of those active molecules are involved in binding even when you don’t have structural information for your target.
Whether you use the graphical interface, the command line, or our components for KNIME® and Pipeline Pilot, Cresset Engine Broker will dramatically speed up your calculations by running calculations on a remote server or cluster.
Choose the molecules to make, and understand why you should make them
My students and I enjoyed using Forge in our drug design class. The simple and well designed GUI makes Forge easy to use. Students found it very helpful to understand how two seemingly different molecules superimpose with each other.
Randy Lin, Shenyang Pharmaceutical University, China
F2G have used Cresset’s consulting services for over two years. Through the work presented to us I was particularly impressed with the data management and visualization within Forge, so the next step was for us to use it in-house.
Dr Graham Sibley, Head of Chemistry, F2G, UK
We will use Forge alongside our continuing consulting work with Cresset to aid in the development of our understanding of the SAR and design of future antifungal agents. Additionally, we will implement the 3D-QSAR functionality to create predictive models of the activity of our new design ideas.
Dr Graham Sibley, Head of Chemistry, F2G, UK
We really like the powerful combination of excellent software tools and molecular design expertise which we get from working with Cresset.” Read press release: F2G license Cresset’s Forge to complement successful consulting projects.
Dr Graham Sibley, Head of Chemistry, F2G, UK
I received an urgent request from a customer to create energetically reasonable conformations for one of their compounds of interest. I had access to Forge, although I’d never used Cresset software before. It turned out that the software was so intuitive, with clearly identifiable buttons, that I was able to send a picturesque overlay of the conformers and .sdf within an hour. The customer was completely satisfied
A synthetic organic chemist, working for a leading UK-based CRO