Lipophilicity Assessment of Ruthenium(II)-Arene Complexes by the Means of Reversed-Phase Thin-Layer Chromatography and DFT Calculations by Khalil Salem A. M. Shweshein, Filip Andrić, Aleksandra Radoičić, Matija Zlatar, Maja Gruden-Pavlović, Živoslav Tešić, Dušanka Milojković-Opsenica

“…In addition, ab initio density functional theory (DFT) computational approach was employed to calculate logKOW values from the differences in Gibbs’ free solvation energies of the solute transfer from n-octanol to water. …”
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Theory and Numerical Analysis of Extreme Learning Machine and Its Application for Different Degrees of Defect Recognition of Hoisting Wire Rope by Zhike Zhao, Xiaoguang Zhang

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Fast simulation of the influence of a refractive free-form microstructure on a wave field based on scalar diffraction theory by Thiemicke Fabian, El-Bashar Ramy, Hameed Mohamed F.M., Agour Mostafa, Obayya Salah S.A., Bergmann Ralf B., Falldorf Claas

“…The main advantage of this method is its reduced complexity, which leads to a remarkable reduction in computation time by more than two orders of magnitude compared to finite-difference time-domain (FDTD) methods. …”
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Description of Weak Halogen Bonding Using Various Levels of Symmetry-Adapted Perturbation Theory Combined with Effective Core Potentials by Piotr Matczak

“…This comparison reveals that high-order SAPT2+(3) method and the much less computationally demanding SAPT(DFT) method perform very well in describing Eint of the complexes. …”
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User-Centric Radio Access Technology Selection: A Survey of Game Theory Models and Multi-Agent Learning Algorithms by Giuseppe Caso, Ozgu Alay, Guido Carlo Ferrante, Luca De Nardis, Maria-Gabriella Di Benedetto, Anna Brunstrom

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Prediction of Pt, Ir, Ru, and Rh complexes light absorption in the therapeutic window for phototherapy using machine learning by V. Vigna, T. F. G. G. Cova, A. A. C. C. Pais, E. Sicilia

“…Traditional prediction methods for these light absorption properties, including Time-Dependent Density Functional Theory (TDDFT), are often computationally intensive and time-consuming. …”
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Some Complex Picture Fuzzy Aggregation Operators Based on Frank t-norm and t-conorm: An Application to Multi-Attribute Decision-Making (MADM) Process by Faisal Mehmood, Heng Liu

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An Improved Distributed Multi-User Cooperative Spectrum Sensing Method Based on DCS by Jianwu Zhang, Xiaoyan Chen, Xiaorong Xu

“…However, it increases computational complexity in the process of signal reconstruction. …”
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Evaluating the role of protection motivation theory in information security policy compliance: Insights from the banking sector using PLS-SEM approach by Ebrahim Mohammed Alrawhani, Awanis Romli, Mohammed A. Al-Sharafi

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Finite-Time Cluster Synchronization of Fractional-Order Complex-Valued Neural Networks Based on Memristor with Optimized Control Parameters by Qi Chang, Rui Wang, Yongqing Yang

“…The finite-time cluster synchronization (FTCS) of fractional-order complex-valued (FOCV) neural network has attracted wide attention. …”
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Structured Dynamics in the Algorithmic Agent by Giulio Ruffini, Francesca Castaldo, Jakub Vohryzek

“…Our findings bridge perspectives from algorithmic information theory (Kolmogorov complexity, compressive modeling), symmetry (group theory), and dynamics (conservation laws, reduced manifolds), offering insights into the neural correlates of agenthood and structured experience in natural systems, as well as the design of artificial intelligence and computational models of the brain.…”
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Actors and roles in integration of electric vehicles in energy markets and power systems: Theory, glossary, and application to virtual power plant and fleet operator by Jan F. Heinekamp, Kai Strunz

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Prioritized aggregation operators for Schweizer-Sklar multi-attribute decision-making for complex spherical fuzzy information in mobile e-tourism applications by Khawlah Alhulwah, Muhammad Azeem, Mehwish Sarfraz, Nasreen Almohanna, Ali Ahmad

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Entropic imprints on bioinformatics by Ismail Mageed

“…The entropic framework is a crucial method in statistical inference that helps scientists create models to describe and predict biological systems, particularly complex networks like gene interactions. Its effectiveness comes from its simple concepts and solid mathematical foundation, making it applicable in various situations. …”
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A Computational Study on Selected Alkaloids as SARS-CoV-2 Inhibitors: PASS Prediction, Molecular Docking, ADMET Analysis, DFT, and Molecular Dynamics Simulations by Md. Golam Mortuza, Md Abul Hasan Roni, Ajoy Kumer, Suvro Biswas, Md. Abu Saleh, Shirmin Islam, Samia Sadaf, Fahmida Akther

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Challenges of reproducible AI in biomedical data science by Henry Han

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The edge of random tensor eigenvalues with deviation by Nicolas Delporte, Naoki Sasakura

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Topological phases driven by orbital entanglement in Transition Metal Oxide Perovskite interfaces by Gabay, Marc

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Integrable formulation of the OPE coefficients in the UV limit of the sine-Gordon model by Árpád Hegedűs

“…This allows one to get an integrable description to some specific ratios of vacuum expectation values in the complex Liouville CFT.…”
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Permission clustering-based attribute value optimization by Wenchao WU, Zhiyu REN, Xuehui DU

“…In new large-scale computing environment, the attributes of entities were massive and they had complex sources and uneven quality, which were great obstacles to the application of ABAC (attribute-based access control).The attributes were also hard to be corrected manually, making it difficult to be applied in access control system straightly.To solve the optimization problem of nominal attributes, a novel algorithm of attribute value optimization based on permission clustering was designed, in which entities were presented by the privilege set related to them.So that the entities were tagged by density-based clustering method with distances of their privilege set presentations.Then the attribute values were reduced and corrected based on rough set theory.Finally, the algorithm was verified on UCI data sets, which proved that after applying it, ABAC policy mining was improved in the evaluation criteria, such as the true positive rate and F1-score.…”
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