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. 2023 Aug 8;13(34):23754–23771. doi: 10.1039/d3ra03177b

The selected molecular descriptors for the QSAR method.

ID Name Description Block
1 SIC1 Structural information content (neighborhood symmetry of 1-order) Information indices
2 R2e R autocorrelation of lag 2/weighted by Sanderson electronegativity GETAWAY descriptors
3 EEig03d Eigenvalue 03 from edge adj. matrix weighted by dipole moment Edge adjacency indices
4 ESpm14u Spectral moment 14 from edge adj. matrix Edge adjacency indices