Korolev VV - Search Results

1

MR-guided non-invasive typing of brain gliomas using machine learning.

Danilov GV, Pronin IN, Korolev VV, Maloyan NG, Ilyushin EA, Shifrin MA, Afandiev RM, Shevchenko AM, Konakova TA, Shugai SV, Potapov AA. Danilov GV, et al. Among authors: korolev vv. Zh Vopr Neirokhir Im N N Burdenko. 2022;86(6):36-42. doi: 10.17116/neiro20228606136. Zh Vopr Neirokhir Im N N Burdenko. 2022. PMID: 36534622 English, Russian.

2

Parametrization of Nonbonded Force Field Terms for Metal-Organic Frameworks Using Machine Learning Approach.

Korolev VV, Nevolin YM, Manz TA, Protsenko PV. Korolev VV, et al. J Chem Inf Model. 2021 Dec 27;61(12):5774-5784. doi: 10.1021/acs.jcim.1c01124. Epub 2021 Nov 17. J Chem Inf Model. 2021. PMID: 34787430

3

A universal similarity based approach for predictive uncertainty quantification in materials science.

Korolev V, Nevolin I, Protsenko P. Korolev V, et al. Sci Rep. 2022 Sep 2;12(1):14931. doi: 10.1038/s41598-022-19205-5. Sci Rep. 2022. PMID: 36056050 Free PMC article.

4

Graph Convolutional Neural Networks as "General-Purpose" Property Predictors: The Universality and Limits of Applicability.

Korolev V, Mitrofanov A, Korotcov A, Tkachenko V. Korolev V, et al. J Chem Inf Model. 2020 Jan 27;60(1):22-28. doi: 10.1021/acs.jcim.9b00587. Epub 2020 Jan 3. J Chem Inf Model. 2020. PMID: 31860296

5

Coarse-Grained Crystal Graph Neural Networks for Reticular Materials Design.

Korolev V, Mitrofanov A. Korolev V, et al. J Chem Inf Model. 2024 Mar 25;64(6):1919-1931. doi: 10.1021/acs.jcim.3c02083. Epub 2024 Mar 8. J Chem Inf Model. 2024. PMID: 38456446

6

Size Doesn't Matter: Predicting Physico- or Biochemical Properties Based on Dozens of Molecules.

Karpov K, Mitrofanov A, Korolev V, Tkachenko V. Karpov K, et al. J Phys Chem Lett. 2021 Sep 30;12(38):9213-9219. doi: 10.1021/acs.jpclett.1c02477. Epub 2021 Sep 16. J Phys Chem Lett. 2021. PMID: 34529429

7

Accurate, interpretable predictions of materials properties within transformer language models.

Korolev V, Protsenko P. Korolev V, et al. Patterns (N Y). 2023 Aug 2;4(10):100803. doi: 10.1016/j.patter.2023.100803. eCollection 2023 Oct 13. Patterns (N Y). 2023. PMID: 37876904 Free PMC article.

8

Simple Automatized Tool for Exchange-Correlation Functional Fitting.

Mitrofanov A, Korolev V, Andreadi N, Petrov V, Kalmykov S. Mitrofanov A, et al. J Phys Chem A. 2020 Apr 2;124(13):2700-2707. doi: 10.1021/acs.jpca.9b09093. Epub 2020 Mar 23. J Phys Chem A. 2020. PMID: 32118431

9

A search for a DFT functional for actinide compounds.

Mitrofanov A, Andreadi N, Korolev V, Kalmykov S. Mitrofanov A, et al. J Chem Phys. 2021 Oct 28;155(16):161103. doi: 10.1063/5.0067631. J Chem Phys. 2021. PMID: 34717364

10

Aroma Molecules as Dynamic Volatile Surfactants: Functionality beyond the Scent.

Soboleva OA, Protsenko PV, Korolev VV, Viktorova J, Yakushenko A, Kudla R, Gutmann JS, Tsarkova LA. Soboleva OA, et al. Among authors: korolev vv. ACS Appl Mater Interfaces. 2019 Oct 30;11(43):40988-40995. doi: 10.1021/acsami.9b15596. Epub 2019 Oct 18. ACS Appl Mater Interfaces. 2019. PMID: 31591876

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