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Table 5 Mean effect values of the most relevant descriptors

From: Computational modeling, ligand-based drug design, drug-likeness and ADMET properties studies of series of chromen-2-ones analogues as anti-cancer agents

Descriptor

Definition

Class

Mean effect

apol

Sum of the atomic polarizabilities

2D

1.703

ATSC8m

Centered Broto-Moreau autocorrelation—lag 8/weighted by mass

2D

− 0.039

ATSC7s

Centered Broto-Moreau autocorrelation—lag 7/weighted by I-state

2D

0.025

SM1_Dzm

Spectral moment of order 1 from Barysz matrix/weighted by mass

2D

− 0.224

SpAbs_Dzs

Graph energy from Barysz matrix/weighted by I-state

2D

− 0.695

ZMIC4

Z-modified information content index (neighborhood symmetry of 4-order)

2D

0.231