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. Author manuscript; available in PMC: 2011 Nov 1.
Published in final edited form as: Eur J Med Chem. 2010 Sep 15;45(11):5406–5419. doi: 10.1016/j.ejmech.2010.09.001

Figure 5.

Figure 5

Examples of atom pair descriptors and their occurrences in structures of selected compounds under investigation. The indicated atom pairs are highlighted in red. Notation of atom types: CA – aromatic carbon; C3 – olefin-type or imino carbon; C4 – tetrahedral sp3-hybridized carbon; CO – carbonyl carbon; NA – pyridine nitrogen; N1 – nitrogen in nitro group; N2 – amino-, amido-, or imino-nitrogen; O1 – carbonyl or nitro oxygen; O2 – two-coordinated alcohol or ether-type oxygen; CL – chlorine; BR – bromine.