Have you been missing our 'Weekend article' feature? If so, we have a treat for you!

 

The article introduces a novel method for exploring synthon-based chemical spaces through shape similarity. Known as SASS (Shape-Aware Synthon Search), this method unlocks exciting opportunities for virtual screening utilizing 3D ligands. It facilitates the exploration of vast synthon-based chemical spaces that were previously inaccessible through traditional full-enumeration approaches (doi:10.1021/acs.jcim.3c01865).

It is definitely worth reading!  

 

By the way, you can dive even deeper into the topic of virtual screening on our updated website! Follow the link and discover how we can tailor our integrated services to provide customized solutions for your needs!

 

Chemspace | New weekend article review is out! | Shape-Aware Synthon Search for virtual screening of Synthon-based chemical spaces