Table 3.
Variable | Descriptor type | Definition |
---|---|---|
R3u+ | GETAWAY descriptors | R maximal autocorrelation of lag 3 / unweighted |
R3v+ | GETAWAY descriptors | R maximal autocorrelation of lag 3 / weighted by van der Waals volume |
IDDE | Information indices | mean information content on the distance degree equality |
Mor11m | 3D-MoRSE descriptors | 3D-MoRSE signal-11/weighted by atomic masses |