AI-enabled predictive retrosynthesis tool to advance drug discovery

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Presented by

Dr Abhinav Kumar, Head of Chemistry Solutions, Elsevier & Dr Nilesh Rane, Solution Consultant Life Sciences, Elsevier

About this talk

Rapid navigation of increasingly complex druggable chemical space is critical for innovative drug design. However, chemical synthesis and route design is still a significant challenge. In this session, we will discuss recent development in predictive retrosynthesis. Also, we explore how Reaxys collaborated with Pending.AI, a startup led by Prof. Mark Waller, to develop a ‘deep learning’ solution that predicts new synthesis routes with high accuracy for creating small organic compounds. The webinar will focus on: 1. Science behind AI powered predictive retrosynthesis 2. Reaxys predictive retrosynthesis overview 3. Discussion on benefits, limitation of technology and future roadmap

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