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Zhao, Zhi-Wen, Del Cueto, Marcos 
ORCID: 0000-0001-7744-8530 and Troisi, Alessandro ORCID: 0000-0002-5447-5648
(2022)
Limitations of machine learning models when predicting compounds with completely new chemistries: possible improvements applied to the discovery of new non-fullerene acceptors.
Digital discovery, 1 (3).
pp. 266-276.