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. Author manuscript; available in PMC: 2013 Jun 25.
Published in final edited form as: J Chem Inf Model. 2012 May 29;52(6):1637–1659. doi: 10.1021/ci300009z

Table 3.

The number of 38 proprietary 3A4 substrates correctly predicted in the top two rank-positions by the column method but not the row method. When row and column designate the same model the number of substrates correctly predicted in the top 1, 2 and 3 rank-positions are given

Model TOP QC TOP QC SCR TOP SCR SMARTCyp StarDrop Schrödinger
TOP QC 16,27,34 4 4 6 7 4
TOP QC SCR 3 19,27,33 4 4 6 3
TOP SCR 3 2 22,29,34 1 5 2
SMARTCyp 11 9 8 16,22,26 10 5
StarDrop 6 5 6 4 21,28,30 4
Schrödinger 9 8 9 5 10 16,22,27