2: CHemistry Aware Convex Hull Autoencoder Towards Inverse Molecular Design

Mohammad Sajjad Ghaemi, Hang Hu 0017, Anguang Hu, Hsu Kiang Ooi. 2: CHemistry Aware Convex Hull Autoencoder Towards Inverse Molecular Design. In Dietmar Seipel, Alexander Steen, editors, KI 2023: Advances in Artificial Intelligence - 46th German Conference on AI, Berlin, Germany, September 26-29, 2023, Proceedings. Volume 14236 of Lecture Notes in Computer Science, pages 23-30, Springer, 2023. [doi]

Abstract

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