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The best 3D-QSAR model using SA-kNN-MFA method, showing good correlative and predictive capabilities in terms of q2 = 0.7862 and pred_r2 = 0.7119.
Selected cohesive properties of stable and virtual B2 compounds are calculated by an ab initio method, showing good agreement with measured site occupancy and lattice parameters.
The results of several different test cases demonstrate the effectiveness of the proposed method, showing good mass conservation properties and second order converging spurious current magnitudes.
Molecular field analysis was used to construct the best 3D-QSAR model using SW-kNN method, showing good correlative and predictive capabilities in terms of q2 = 0.81 and pred_r2 = 0.55.
Determination of bulk density was conducted by the measuring of the skeletal density and the specific pore volume of aminofunctionalised aerogel microparticles, a method showing good agreement with conventional bulk density determination for aerogel monoliths.
A four-line degradation model was adopted to fit the skeleton curves of the connections, and a hysteretic model was established based on a pivot model and verified by a numerical method, showing good agreement between the simulated and test results.
Similar(53)
The method showed good sensitivity and selectivity.
Therefore, template-free method shows good potential in future [12].
The calculational method shows good agreement with the experiments.
The method shows good precision, linearity, sensitivity and robustness.
The method shows good precision, sensitivity, linearity and robustness.
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Justyna Jupowicz-Kozak
CEO of Professional Science Editing for Scientists @ prosciediting.com