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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


Positive charge

Negative charge


(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