Chemical Space Docking: Odyssey to Unlock Relevant Compounds

webinar

Thu, 26 Jan 2023, 16:00 CET (Berlin)

Dr. Serghei Glinca, CrystalsFirst and Alexander Neumann, BioSolveIT

Chemical Space Docking: Odyssey to Unlock Relevant Compounds

Chemical Space exploration is experiencing a major breakthrough, thanks to rapid advancements in the technology behind it. By seamlessly integrating computational and experimental methods, researchers are now able to unlock the full potential of structure-based drug discovery. One such method that has gained significant attention is Chemical Space Docking, which plays a vital role in identifying promising drug candidates and viable compounds among vast chemical space. This cutting-edge method offers a cost-efficient, rapid way to mine the most relevant compounds with a high hit rate and with chemical diversity among hits.[1],[2]

Join us as we explore the potential of make-on-demand Chemical Spaces and discover how this approach can retrieve relevant chemistry and lead to more effective drug development. Don’t miss out on this exciting opportunity to learn from experts in the field and unlock the secrets of Chemical Space.

You can access the webinar slides as well here (PDF).

Current news

category
Software
Comparing the Performance of BioSolveIT and Alternative Technologies
August 4, 2026 09:21 CEST
Chemical Space Docking® (C-S-D) is designed for computationally efficient structure-based exploration of ultra-large Chemical Spaces. But how does it compare with other approaches? When searching ultra-large Chemical Spaces, computational efficiency and algorithmic strategies are crucial if trillions of compounds are to be screened for potential candidates. The approaches used to...
Read on
Tool of the Month - infiniSee xREAL
July 27, 2026 10:57 CEST
This August, Trillions Fit on Your Desktop This August, explore Enamine’s largest compound catalog with infiniSee xREAL as BioSolveIT’s Tool of the Month. Most screening campaigns are limited less by ideas than by the size of the catalog you can search. infiniSee xREAL removes that limit. It is the only...
Read on
category
Publications
New Publication: Strategies for Identifying Molecules of Interest in Large Chemical Spaces
July 14, 2026 11:25 CEST
In collaboration with Pfizer, our team recently published a study in the Journal of Chemical Information and Modeling. The work represents fundamental research into molecular similarity, extended to ultra-large, combinatorial Chemical Spaces. Read the Full Publication (Open Access) Which Central Questions Were Addressed? Which similarity-score thresholds are meaningful? How do...
Read on