Instantly understand and explore the structure-activity relationships in your chemical series
|Analysing structure-activity relationships (SAR) using R-group analysis or computational methods such as clustering, matched pair and activity landscape analyses produces valuable information to guide compound optimisation. StarDrop displays these results in a visually intuitive way, making it easy for everyone to interpret the results and quickly draw conclusions.|
StarDrop includes a flexible tool to automatically perform R-group decompositions.
Matched Pair Analysis
StarDrop provides a generalised matched molecular pair analysis tool, integrated with Card View. The matched pairs method identifies pairs of molecules that differ only by replacement of a single, small contiguous fragment. The analysis provides a simple way to identify and assess transformations based on your data. You can identify which transformations have been made, how common these are and what affect they have on properties. One application, for example, is to identify strategies for lead optimisation by identifying transformations that provide a consistent, significant improvement in a property of interest.
Activity Landscapes and Neighbourhoods
To find out more about StarDrop and its SAR analysis tools, to arrange an online demonstration or to try StarDrop for yourself, please contact us.