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Research unit
INNOSUISSE
Project number
46966.1 IP-ICT
Project title
CHEM::AI # Predicting and Exploring Novel Chemical Spaces Using Artificial Intelligence

Texts for this project

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Short description
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Abstract
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Short description
(German)
CHEM::AI # Predicting and Exploring Novel Chemical Spaces Using Artificial Intelligence
Short description
(English)
CHEM::AI # Predicting and Exploring Novel Chemical Spaces Using Artificial Intelligence
Abstract
(German)
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.