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. Author manuscript; available in PMC: 2012 Sep 26.
Published in final edited form as: J Chem Inf Model. 2011 Sep 2;51(9):2209–2222. doi: 10.1021/ci200207y

Table 5.

Orbital Interaction Features

Type Count
Molecular difference 124
Forward Filled and Unfilled 251
Inverse Filled and Unfilled 199
Reactive Site Filled and Unfilled 1103

Total 1677