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. 2013 Aug 9;8(8):e71752. doi: 10.1371/journal.pone.0071752

Table 5. Meanings of the robust descriptors influencing significantly the CP-response of peptides.

Descriptor Meaning Class
B04[N-N] Presence/absence of N-N at topological distance 4 2D binary fingerprints
GATS5m Geary autocorrelation - lag 5/weighted by atomic masses 2D autocorrelations
G2e 2st component symmetry directional WHIM index/weighted by atomic Sanderson electronegativities WHIM1 descriptors
nCt Number of total tertiary C(sp3) Functional group counts
nROR Number of ethers (aliphatic) Functional group counts
T(N.S) Sum of topological distances between N.S Topological descriptors
G3u 3st component symmetry directional WHIM index/unweighted WHIM descriptors
Mp Mean atomic polarizability (scaled on Carbon atom) Constitutional descriptors
Mor15p 3D-MoRSE - signal 15/weighted by atomic polarizabilities 3D-MoRSE2 descriptors
Mor26m 3D-MoRSE - signal 26/weighted by atomic masses 3D-MoRSE2 descriptors
GATS7e Geary autocorrelation - lag 7/weighted by atomic Sanderson electronegativities 2D autocorrelations
GATS7p Geary autocorrelation - lag 7/weighted by atomic polarizabilities 2D autocorrelations
Mor16p 3D-MoRSE - signal 16/weighted by atomic polarizabilities 3D-MoRSE2 descriptors
Mor27m 3D-MoRSE - signal 27/weighted by atomic masses 3D-MoRSE2 descriptors
Mor27e 3D-MoRSE - signal 27/weighted by atomic Sanderson electronegativities 3D-MoRSE2 descriptors
1

Weighted Holistic Invariant Molecular descriptors.

23D-Molecular Representation of Structures based on Electron diffraction.