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Table 5 The list of descriptors used in the RF model

From: CAESAR models for developmental toxicity

Symbol

Definition

Icycem

Mean information on the vertex cycle matrix equality

BEHm1

Highest eigenvalue n. 1 of Burden matrix/weighted by atomic masses

BELp3

Lowest eigenvalue n. 3 of Burden matrix/weighted by atomic polarizabilities

BELv1

Highest eigenvalue n. 1 of Burden matrix/weighted by atomic van der Waals volumes

BELv8

Highest eigenvalue n. 8 of Burden matrix/weighted by atomic van der Waals volumes

GATS1p

Geary autocorrelation - lag 1/weighted by atomic polarizabilities

GATS2m

Geary autocorrelation - lag 2/weighted by atomic masses

GATS3v

Geary autocorrelation - lag 3/weighted by atomic van der Waals volumes

MATS1p

Moran autocorrelation - lag 1/weighted by atomic polarizabilities

MATS4p

Moran autocorrelation - lag 4/weighted by atomic polarizabilities

MATS4v

Moran autocorrelation - lag 4/weighted by atomic van der Waals volumes

SdssC

Sum of all (αC --) E-State values in molecule

ShssNH

Sum of all [-- NH -- ] E-State values in molecule