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Pushing the limits of solubility prediction via quality-oriented data selection.
iScience. 2020 Dec 17;24(1):101961. doi: 10.1016/j.isci.2020.101961. eCollection 2021 Jan 22.
iScience. 2020.
PMID: 33437941
Free PMC article.
AqSolDB, a curated reference set of aqueous solubility and 2D descriptors for a diverse set of compounds.
Sorkun MC, Khetan A, Er S.
Sorkun MC, et al.
Sci Data. 2019 Aug 8;6(1):143. doi: 10.1038/s41597-019-0151-1.
Sci Data. 2019.
PMID: 31395888
Free PMC article.
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ML-Aided Computational Screening of 2D Materials for Photocatalytic Water Splitting.
Wang Y, Sorkun MC, Brocks G, Er S.
Wang Y, et al. Among authors: sorkun mc.
J Phys Chem Lett. 2024 May 9;15(18):4983-4991. doi: 10.1021/acs.jpclett.4c00425. Epub 2024 May 1.
J Phys Chem Lett. 2024.
PMID: 38691841
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RedDB, a computational database of electroactive molecules for aqueous redox flow batteries.
Sorkun E, Zhang Q, Khetan A, Sorkun MC, Er S.
Sorkun E, et al. Among authors: sorkun mc.
Sci Data. 2022 Nov 28;9(1):718. doi: 10.1038/s41597-022-01832-2.
Sci Data. 2022.
PMID: 36443329
Free PMC article.
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