Search alternatives:
significantly predicted » significantly reduced (Expand Search), significantly reduce (Expand Search), significant predictor (Expand Search)
predicted decrease » predicted secreted (Expand Search), reported decrease (Expand Search)
step decrease » sizes decrease (Expand Search), teer decrease (Expand Search), we decrease (Expand Search)
gap decrease » a decrease (Expand Search), gain decreased (Expand Search), mean decrease (Expand Search)
significantly predicted » significantly reduced (Expand Search), significantly reduce (Expand Search), significant predictor (Expand Search)
predicted decrease » predicted secreted (Expand Search), reported decrease (Expand Search)
step decrease » sizes decrease (Expand Search), teer decrease (Expand Search), we decrease (Expand Search)
gap decrease » a decrease (Expand Search), gain decreased (Expand Search), mean decrease (Expand Search)
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Schematic representation of the sequential steps in the analytical process.
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Comparative analysis of predictive performance of different variant models.
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Effect of Molecular Structure on the B3LYP-Computed HOMO–LUMO Gap: A Structure −Property Relationship Using Atomic Signatures
Published 2025“…The use of atomic Signatures as molecular descriptors successfully inferred correlations between different structural motifs and <i>E</i><sub>gap</sub>. The atomic fragments containing π-bonds in various aromatic compounds were found to be the most significant atomic Signatures, explaining nearly 50% of the variance in the data, with regression coefficients that decreased <i>E</i><sub>gap</sub>. …”
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