RICT 2023, Lille, France
July 5, 2023 to July 7, 2023
Schrödinger is excited to be participating in RICT 2023 - the 57th International Conference on Medicinal Chemistry taking place on July 5th-7th in Lille, France. Join us for a workshop by Zeineb Si Chaib, Senior Scientist I at Schrödinger titled, "Augmenting Medicinal Chemistry with Digital Chemistry: a CDK2 Inhibitor Design Challenge". Stop by booth #18 to speak with Schrödinger scientists.
Speaker: Zeineb Si Chaib, Senior Scientist I
Details:
This hands-on design challenge will give participants the opportunity to design, computationally assess, and prioritise novel CDK2 inhibitors using Schrödinger’s enterprise informatics platform; LiveDesign. As part of the design challenge, participants will have access to:
- A validated docking and design model
- Predicted physicochemical properties
- Machine learning models for various ADMET properties
- A tool which searches ChEMBL and vendor databases (with over 1 billion total compounds) at rapid speeds to estimate the novelty of designed compounds
- A Target Product Profile MPO that will be used to determine the ‘winning’ design