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MonteCat: A Basin-Hopping-Inspired Catalyst Descriptor Search Algorithm for Machine Learning Models.
J Chem Inf Model. 2024 Mar 11;64(5):1512-1521. doi: 10.1021/acs.jcim.3c01952. Epub 2024 Feb 22.
J Chem Inf Model. 2024.
PMID: 38385190
Automatic feature engineering for catalyst design using small data without prior knowledge of target catalysis.
Taniike T, Fujiwara A, Nakanowatari S, García-Escobar F, Takahashi K.
Taniike T, et al. Among authors: garcia escobar f.
Commun Chem. 2024 Jan 12;7(1):11. doi: 10.1038/s42004-023-01086-y.
Commun Chem. 2024.
PMID: 38216711
Free PMC article.
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