Table 8 Name, type, and description of selected 10 features determining the period changing information of a molecule.
From: Structure-based design and classifications of small molecules regulating the circadian rhythm period
Descriptor name | Type | Description |
|---|---|---|
ATSC8c | Centered Broto-Moreau Autocorrelation Descriptor | Centered Broto-Moreau autocorrelation—lag 8/weighted by charges |
MATS1e | Moran Autocorrelation Descriptor | Moran autocorrelation—lag 1/weighted by Sanderson electronegativities |
minsCH3 | Electrotopological State Atom Type Descriptor | Minimum atom-type E-State: -CH3 |
MATS4e | Moran Autocorrelation Descriptor | Moran autocorrelation—lag 4/weighted by Sanderson electronegativities |
MATS4s | Moran Autocorrelation Descriptor | Moran autocorrelation—lag 4/weighted by I-state |
ATSC7i | Centered Broto-Moreau Autocorrelation Descriptor | Centered Broto-Moreau autocorrelation—lag 7/weighted by first ionization potential |
SpMin4_Bhp | Burden Modified Eigenvalues Descriptor | Smallest absolute eigenvalue of Burden modified matrix—n 4/weighted by relative polarizabilities |
MLFER_S | MLFER Descriptor | Combined dipolarity/polarizability |
ATSC4p | Centered Broto-Moreau Autocorrelation Descriptor | Centered Broto-Moreau autocorrelation—lag 4/weighted by polarizabilities |
SpMax2_Bhm | Burden Modified Eigenvalues Descriptor | Largest absolute eigenvalue of Burden modified matrix—n 2/weighted by relative mass |
