Using AI-driven Drug Design to Shorten Your Drug Development Process

In this webinar, Dr. Jeremy Jones, Principal Scientist, will discuss how artificial intelligence (AI) can be used in the drug discovery and development process to identify viable candidate molecules and shorten time to market. Simulations Plus has been a leader in the field of small molecule ADMET and PK property prediction for decades, and recently implemented a framework that builds those predictions into a generative chemistry algorithm for de novo drug design. Webinar attendees will get a chance to see Dr. Jones demonstrate the new AI-driven Drug Design (AIDD) module in the design of PPAR gamma inhibitors. He will also cover interim results from a collaboration with a large pharma company and discuss new drug discovery partnerships with academic and biotech partners. Attendees can expect to increase their understanding of AI-driven drug design, what sets the Simulations Plus AIDD module apart from similar software, and what an AI-powered drug discovery project can look like. There will be time at the end for Q&A, so be sure to register for real-time answers to your questions about AI-driven drug design. Presenters: Jeremy Jones, Principal Scientist, Cheminformatics Michael Lawless, Senior Principal Scientist (Q&A session) 1:06 Speaker Introduction with Eric Jamois 2:38 Jeremy Jones kicks off his presentation 3:52 Overview 4:17 De Novo drug design 6:05 Automating the de novo drug design process 8:24 Generating Analogs 9:46 Multi-paramter optimization 11:19 ADMET Risk 11:58 HT-PBPK Predictions 13:36 3D Shape Matching 14:54 Demonstration 25:42 ADMET Predictor Demo 44:40 Success Stories 46:38 What does a typical discovery project look like? 47:36 Take home messages 49:46 Q&A For more information visit: https://www.simulations-plus.com/services/early-drug-discovery/