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A Semi-Automated, High-Throughput Approach for the Synthesis and Identification of Highly Photo-Cytotoxic Iridium Complexes.
Angew Chem Int Ed Engl. 2024 Apr 24;63(18):e202401808. doi: 10.1002/anie.202401808. Epub 2024 Mar 11.
Angew Chem Int Ed Engl. 2024.
PMID: 38404222
Low-cost machine learning prediction of excited state properties of iridium-centered phosphors.
Terrones GG, Duan C, Nandy A, Kulik HJ.
Terrones GG, et al.
Chem Sci. 2023 Jan 5;14(6):1419-1433. doi: 10.1039/d2sc06150c. eCollection 2023 Feb 8.
Chem Sci. 2023.
PMID: 36794185
Free PMC article.
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Active Learning Exploration of Transition-Metal Complexes to Discover Method-Insensitive and Synthetically Accessible Chromophores.
Duan C, Nandy A, Terrones GG, Kastner DW, Kulik HJ.
Duan C, et al. Among authors: terrones gg.
JACS Au. 2022 Dec 1;3(2):391-401. doi: 10.1021/jacsau.2c00547. eCollection 2023 Feb 27.
JACS Au. 2022.
PMID: 36873700
Free PMC article.
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Machine Learning Prediction of the Experimental Transition Temperature of Fe(II) Spin-Crossover Complexes.
Vennelakanti V, Kilic IB, Terrones GG, Duan C, Kulik HJ.
Vennelakanti V, et al. Among authors: terrones gg.
J Phys Chem A. 2024 Jan 11;128(1):204-216. doi: 10.1021/acs.jpca.3c07104. Epub 2023 Dec 26.
J Phys Chem A. 2024.
PMID: 38148525
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MOFSimplify, machine learning models with extracted stability data of three thousand metal-organic frameworks.
Nandy A, Terrones G, Arunachalam N, Duan C, Kastner DW, Kulik HJ.
Nandy A, et al.
Sci Data. 2022 Mar 11;9(1):74. doi: 10.1038/s41597-022-01181-0.
Sci Data. 2022.
PMID: 35277533
Free PMC article.
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