3rd ADDC/ASPET Academic Drug Discovery Colloquium

Schrödinger is excited to be participating in the 3rd ADDC/ASPET Academic Drug Discovery Colloquium taking place on May 19th – 20th in Arlington, Virginia. Join us for a presentation by Aleksey Gerasyuto, Vice President, Drug Discovery & Head of Chemistry at Schrödinger, titled “The predict-first paradigm: How digital chemistry is shaping the future of drug discovery.”

Speaker:
Aleksey Gerasyuto, Vice President, Drug Discovery & Head of Chemistry at Schrödinger

Date/Time:
May 19 | 4:50 PM

Abstract:
Digital chemistry offers a modern paradigm for enabling rapid in silico testing of design ideas using highly accurate computational assays of key properties, accessible across whole project teams. This shift from design strategies based largely on experimental trial and error towards a ‘predict-first’ approach to drug discovery allows teams to dramatically expand the chemical space that can be explored and results in a highly interactive, computationally-driven design-model-make-test-analyze (DMMTA) cycle. Chemists are empowered to test hypotheses through predictive modeling and iteratively improve designs prior to compound synthesis. Teams can confidently explore novel, and often more complex designs while sending only the top scoring molecules for synthesis. In this talk, we will walk through the digital chemistry strategy used by Schrödinger’s therapeutics group, which has led to successful discovery of clinical candidates SGR-1505 and SGR-3515.