Leveraging expert feedback to align proxy and ground truth rewards in goal-oriented molecular generation

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Authors: Julien Martinelli, Yasmine Nahal, Duong Lê, Ola Engkvist, Samuel Kaski

Journal title: NeurIPS 2023 AI for Drug Discovery and Development (AI4D3) workshop

Journal publisher: NeurIPS

Published year: 2023

Published pages: 1-16