We are pleased to remind you that Dr. Olga Tarkhanova will be having a talk tomorrow at 9:55 am PT at the ACS Fall Symposium “Taking a Deep Dive into Chemical Space”. The symposium is organized by Dr. Christian Lemmen, CEO of BioSolveIT, and Dr. Paul Beroza, Distinguished Scientist at Genentech. She will be presenting on Machine Learning Approaches for the Creation and Exploration of Chemical Spaces. 

Olga will introduce Chemspace Freedom Space 3.0, a valuable resource for early Drug Discovery. This space is built using machine learning (ML) to classify reagents based on Enamine statistics, resulting in over 5 billion molecules from diverse suppliers. A 70% success rate has been confirmed experimentally.

She will also cover the latest technology DEL-ML-CS workflow leverages DNA-encoded libraries (DELs) data, ML, and regression predictions to identify hits from chemical spaces like Enamine REAL and Chemspace Freedom. This approach effectively ranked molecules for Carbonic anhydrase 9 (CAIX) activity, with a 25% hit rate in experimental validation.

To learn more, please follow the link!