Chemical space navigation

Speakers

  • Franca Klingler
  • Bailey Montefiore

In this webinar, presented by our guest, Dr. Franca Klingler from BioSolveIT, we learn how novel search algorithms have been developed to enable you to rapidly search vast chemical spaces and the application of these techniques to speed up the drug discovery cycle on a SAR-by-Space approach to identify novel BRD4 inhibitors.

We demonstrate how:

  • BioSolveIT have built the world’s largest chemical space of more than 11 billion compounds in collaboration with Enamine.
  • How the underlying search algorithm (Feature Trees) allows efficient hit exploration, from finding previously unknown analogues to scaffold hopping within the REAL Space.
  • The webinar includes brief demonstration of how the REAL Space can be utilised from within StarDrop, enabling you to move away from the availability bias of current stock screening collections towards IP free areas.

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