From: Ensemble learning for predicting ex vivo human placental barrier permeability
Feature | Description | References |
---|---|---|
MLFER_BH | Overall or summation solute hydrogen bond basicity | Platts et al. [24] |
AATSC3v | Average centered Broto-Moreau autocorrelation—lag 3/weighted by van der Waals volumes | Todeschini and Consonni [25] |
AATSC2i | Average centered Broto-Moreau autocorrelation—lag 2/weighted by first ionization potential | |
GATS1s | Geary autocorrelation—lag 1/weighted by I-state | |
AATSC1c | Average centered Broto-Moreau autocorrelation—lag 1/weighted by charges | |
MATS2i | Moran autocorrelation—lag 2/weighted by first ionization potential | |
GATS5m | Geary autocorrelation—lag 5/weighted by mass |