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Article

42 Citations

6,024 Views

23 Pages

A General Use QSAR-ARX Model to Predict the Corrosion Inhibition Efficiency of Drugs in Terms of Quantum Mechanical Descriptors and Experimental Comparison for Lidocaine

Carlos Beltran-Perez,
Andrés A. A. Serrano,
Gilberto Solís-Rosas,
Anatolio Martínez-Jiménez and ,
Ricardo Orozco-Cruz,
Araceli Espinoza-Vázquez and
Alan Miralrio
+ 2 authors+ 0 author

Int. J. Mol. Sci.2022, 23(9), 5086;https://doi.org/10.3390/ijms23095086

3 May 2022

A study of 250 commercial drugs to act as corrosion inhibitors on steel has been developed by applying the quantitative structure-activity relationship (QSAR) paradigm. Hard-soft acid-base (HSAB) descriptors were used to establish a mathematical mode...

(This article belongs to the Section Physical Chemistry and Chemical Physics)

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Article

639 Views

21 Pages

Nonlinear Correlation of POD and DMD Modal Coefficients in Reduced-Order Modeling of Flow Around a Cylinder in a Microchannel

Bin Zuo,
Xiaopei Yang,
Haichun Wang and
Qianhao Xiao

Micromachines2026, 17(7), 778;https://doi.org/10.3390/mi17070778

26 June 2026

Nonlinear correlations among modal coefficients enable interpretable reduced-order models (ROMs) for microfluidic flows. In this study, flow around a cylinder in a microchannel at Re = 100 is investigated using proper orthogonal decomposition (POD),...

(This article belongs to the Special Issue Additively Manufactured Microchannels: Microfluidics and Microscale Thermal Management)

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