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. Author manuscript; available in PMC: 2014 Feb 1.
Published in final edited form as: ACS Comb Sci. 2011 Apr 18;13(3):223–231. doi: 10.1021/co100033m

Table 1.

The specifications of BCUT descriptors for constructing four-dimensional chemistry space

Diagonal Element Off-diagonal
Element		 Scaling factor Remove(R) or
keep(K) hydrogen		 Use lowest(L) or
highest(H) Eigen value
GasTchrg Burden 0.1 R H
(Atomic Charge)
Haccept (HBA) Burden 0.9 R H
Hdonor (HBD) Burden 0.75 R H
Tabpolar (polarity) Burden 0.5 R H