"Rapid Exploration of a 32.5M Compound Chemical Space with Active Learning ..."

Chenru Duan et al. (2022)

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DOI: 10.48550/ARXIV.2208.05444

access: open

type: Informal or Other Publication

metadata version: 2022-08-17

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  - https://dblp.org/rec/journals/corr/abs-2208-05444
Chenru Duan, Aditya Nandy, Gianmarco Terrones, David W. Kastner, Heather J. Kulik:
Rapid Exploration of a 32.5M Compound Chemical Space with Active Learning to Discover Density Functional Approximation Insensitive and Synthetically Accessible Transitional Metal Chromophores. CoRR abs/2208.05444 (2022)

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