. Author manuscript; available in PMC: 2012 Mar 28.

Published in final edited form as: J Chem Inf Model. 2011 Mar 7;51(3):521–531. doi: 10.1021/ci100399j

Table 5.

List of important features, indices in the bit vector and weights in the sample LiCABEDS model. The interpretation of the listed features are presented graphically in Figure 6.

	Bit Index	Molprint 2D feature^a	Weight
Feature 1	3474	0;0-1-0;0-1-4;1-3-0;2-3-0;	0.869
Feature 2	808	8;0-1-1;1-1-2;1-1-27;2-2-0;2-2-2;	0.328
Feature 3	362	8;0-1-1;1-1-0;1-1-27;2-3-0;2-1-2;	0.343
Feature 4	4322	18;0-2-0;0-1-2;1-2-0;1-2-2;2-2-2;2-2-4;2-1-7;	0.639

Features listed in this table are extracted from Molprint 2D software package.