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. Author manuscript; available in PMC: 2012 May 9.
Published in final edited form as: ACS Comb Sci. 2011 Mar 11;13(3):337–344. doi: 10.1021/co100065a

Table 3.

Mixture complexities and prediction model errors

Reference Mixture Constituents Compounds per Constituent Arithmetic Scaled Error Geometric Scaled Error Harmonic Scaled Error
Houghten et. al. 13 20 8000 3.49 2.49 0.60
20 400 31.44 24.60 1.03
20 20 301.28 210.04 0.72
20 1 29.85 12.01 0.26
Dooley et. al.14 20 8000 0.57 0.12 0.59
20 400 2.01 0.63 0.06
20 20 3.31 1.43 0.57
20 1 5.26 1.54 0.00
Dooley et. al. 15 20 8000 4.43 1.97 0.51
20 400 0.44 0.18 0.08
20 20 3.34 1.48 0.50
20 1 0.36 0.14 0.42
Pinilla et. al. 16 20 400 720.86 175.36 0.09
20 400 9.58 6.85 3.82
20 20 0.43 0.15 0.47
20 1 0.51 0.25 0.08
Houghten et. al. 17 20 8000 5.30 3.42 2.30
20 400 7.52 3.78 0.43
20 20 3.03 1.38 0.11
20 1 2.07 1.23 0.77
Appel et. al. 18 20 8000 62.05 41.57 3.39
20 400 108.27 25.57 0.17
20 20 0.37 0.23 0.10
20 1 0.14 0.03 0.13
20 400 47.86 22.83 0.38
20 20 2,104.59 970.81 0.81
20 1 156.42 18.93 0.24
Davis et. al. 19 12 144 1.75 1.45 1.03
12 12 1.04 0.82 0.50
Ecker et. al. 20 4 4096 0.91 0.18 0.57
4 1024 14.08 6.00 0.15
4 256 3.13 1.82 0.57
4 64 2.53 1.22 0.37
4 16 0.65 0.48 0.26
4 4 0.35 0.27 0.17
4 1 0.38 0.17 0.02