Artificial Intelligence in Drug Discovery: DEL Screening and Beyond
Artificial intelligence (AI) holds the promise of transforming drug discovery. By harnessing large sets of chemical and biological data, AI can accurately predict the behavior and properties of small molecules and thereby accelerate the delivery of candidate compounds. One of the most powerful sources of data in hit generation is DNA-encoded library (DEL) screening. In this talk, we describe how DEL screening paired with AI can enhance the drug discovery process. By utilizing DEL screening data and other proprietary chemical data sources, AI can bring the power of accurate predictive models to drug hunters. We walk through case studies of AI’s application to de novo hit generation, DEL hit explosion, DEL building block reactivity prediction and prediction of key pharmacological properties. Furthermore, we discuss how these powerful capabilities can be integrated into a holistic, AI-accelerated process from screen to candidate.
Key Takeaways:
- How artificial intelligence (AI) and DNA-encoded library (DEL) screening are transforming early phase drug discovery
- How this can impact all stages of discovery from screen to candidate
Presented By:
Matt Clark
Chief Executive Officer
X-Chem
Noor Shaker
Senior Vice President and General Manager
X-Chem