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Molecular Modelling and Drug Discovery
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Geometric Deep Learning for Drug Discovery | Jian Tang

1 tim 4 min•6 oktober 2022

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Abstract: Drug discovery is a very long and expensive process, taking on average more than 10 years and costing $2.5B to develop a new drug. Artificial intelligence has the potential to significantly accelerate the process of drug discovery by extracting evidence from a huge amount of biomedical data and hence revolutionizes the entire pharmaceutical industry. In particular, graph representation learning and geometric deep learning - a fast-growing topic in the machine learning and data mining community focusing on deep learning for graph-structured and 3D data - have seen great opportunities for drug discovery as many data in the domain are represented as graphs or 3D structures (e.g. molecules, proteins, biomedical knowledge graphs). In this talk, I will introduce our recent progress on geometric deep learning for drug discovery and also a newly released open-source machine learning platform for drug discovery, called TorchDrug.  

Speakers: Jian Tang

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