Cancelled – Bridging chemistry and biology in drug discovery: Filling the gap with artificial intelligence.
Dr Oscar Mendez Lucio, Generative Modeling, AI Design. Janssen Research & Development, N.V. Turnhoutseweg 30, B-2340 Beerse Turnhout
Finding new molecules with a desired biological activity is an extremely difficult task. In this context, artificial intelligence and generative models have been used for molecular de novo design and compound optimization1,2. Until now, molecular generative models have been designed as chemocentric approaches that barely consider the resulting biology of the ligand-target interaction. In this talk I will describe some approaches taken by the pharmaceutical industry to bridge systems biology and molecular design using artificial intelligence. One of these approaches is the combination of biological relevant data (e.g. transcriptomic profiles) with generative adversarial networks in order to automatically design molecules that have a high probability to produce a desired effect3,4. This approach is currently under experimental validation and we expect can be used in the drug discovery pipeline in the near future.
Bâtiment: Duclaux, aile Fourneau
Salle: 28 Rdc Bas
Adresse: 28 Rue du Dr Roux, 75015 Paris, France