Table 1 Properties used in generation of TMACC descriptors
From: Interpretable correlation descriptors for quantitative structure-activity relationships
Physicochemical property | Separate property |
|---|---|
Gasteiger partial charge (Electrostatics) | Positive charge |
Negative charge | |
logS (Solubility and solvation phenomena) | Positive logS |
Negative logS | |
Crippen-Wildman logP (Hydrophobicity) | Positive logP |
Negative logP | |
Crippen-Wildman Molar Refractivity (Sterics and polarizability) | Molar refractivity |