How Much Space Has Been Explored? Measuring the Chemical Space Covered by Databases and Machine-Generated Molecules

Yutong Xie, Ziqiao Xu, Jiaqi Ma 0001, Qiaozhu Mei. How Much Space Has Been Explored? Measuring the Chemical Space Covered by Databases and Machine-Generated Molecules. In The Eleventh International Conference on Learning Representations, ICLR 2023, Kigali, Rwanda, May 1-5, 2023. OpenReview.net, 2023. [doi]

Abstract

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