14th National Organic Chemistry Meeting (14ENQO) and 7th National Medicinal Chemistry Meeting (7ENQT)
Apr 20 – 22, 2022 · TRYP Lisboa Caparica Mar Hotel, Portugal
A biennial symposia of gathering presently specialists from all domains of the Organic and Medicinal Chemistry areas, providing a forum to discuss recent developments and innovative ideas and foster new collaborations. Organized by the Divisions of Organic Chemistry and Medicinal Chemistry of the Portuguese Chemical Society.
Join András' presentation on April 20, 6:45 PM (WEST)
DATE: April 20-22, 2022
PRESENTER: András Strácz
Predictive models and data-driven generation of new compounds are key capabilities when designing and optimizing small molecule drugs. This presentation will show how knowledge from previous drug discovery projects can be utilized in rational drug design via a generic MMP model based on exemplified structures in SureCHEMBL. A scientific hypothesis will be created, and new compounds will be automatically generated and prioritized using a predicted parameter. We will also show how to securely share selected compounds within your project with an external CRO for synthesis.