CHEM::AI # Predicting and Exploring Novel Chemical Spaces Using Artificial Intelligence

• Unité de recherche: INNOSUISSE
• Numéro de projet: 46966.1 IP-ICT
• Titre du projet anglais: CHEM::AI # Predicting and Exploring Novel Chemical Spaces Using Artificial Intelligence

Description succincte (Allemand)

CHEM::AI # Predicting and Exploring Novel Chemical Spaces Using Artificial Intelligence

Description succincte (Anglais)

CHEM::AI # Predicting and Exploring Novel Chemical Spaces Using Artificial Intelligence

Résumé des résultats (Abstract) (Allemand)

We will build on and extend recent advances in deep learning and cheminformatics to provide effective solutions for virtual synthesis of new molecules. Research challenges related to molecule representation, active learning for reaction models and exploration of chemical spaces will be addressed.