Table 1.
Model/ data set | Hexane | Benzene | Toluene | Ethyl-benzene | p-Xylene | m-Xylene | Pyridine | o-Xylene | 1,3,5-Tri- methyl- benzene | Styrene | p-Isopropyl- toluene | 1,2,4-Tri- methyl- benzene | 3-Ethenyl-pyridine | Naphth-alene | 1,3-Buta- diene |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Model 1 | |||||||||||||||
TR | |||||||||||||||
R2 | 0.15a | 0.74a | 0.66a | 0.23a | 0.49a | 0.48a | 0.39a | 0.48a | 0.49a | 0.05 | 0.30a | 0.54a | 0.61a | 0.20a | 0.11a |
R2adj | 0.13a | 0.74a | 0.65a | 0.21a | 0.48a | 0.47a | 0.38a | 0.47a | 0.48a | 0.03 | 0.29a | 0.54a | 0.61a | 0.19a | 0.09a |
SE | 2.65 | 0.76 | 8.58 | 2.28 | 1.51 | 3.73 | 0.20 | 1.94 | 1.29 | 0.33 | 0.62 | 3.77 | 0.31 | 0.61 | 36 |
VAL | |||||||||||||||
R2 | 0.65a | 0.83a | 0.89a | 0.86a | 0.69a | 0.59a | 0.71a | 0.63a | 0.94a | 0.86 | 0.47a | 0.95a | 0.98a | 0.65a | 0.02a |
NMB (%) | −25 | 0 | 5 | −18 | 7 | 2 | −4 | 6 | 12 | −47 | 17 | 7 | 4 | 8 | −45 |
MFB (%) | 7 | 7 | 33 | 34 | 34 | 29 | 23 | 29 | −12 | 52 | 25 | 15 | 60 | 29 | −47 |
FA2 (%) | 35 | 100 | 65 | 65 | 75 | 60 | 75 | 70 | 75 | 45 | 80 | 80 | 60 | 75 | 15 |
FA3 (%) | 65 | 100 | 85 | 85 | 85 | 90 | 90 | 85 | 85 | 85 | 95 | 100 | 70 | 100 | 20 |
Model 2 | |||||||||||||||
TR | |||||||||||||||
R2 | 0.10 | 0.12 | 0.17 | 0.05 | 0.08 | 0.06 | 0.00 | 0.07 | 0.01 | 0.01 | 0.05 | 0.01 | 0.01 | 0.04 | 0.05 |
R2adj | 0.07 | 0.10 | 0.14 | 0.02 | 0.05 | 0.03 | 0.03 | 0.04 | −0.01 | −0.01 | 0.03 | −0.02 | −0.01 | 0.01 | 0.02 |
SE | 2.99 | 1.44 | 12.9 | 1.73 | 1.97 | 4.6 | 0.22 | 2.27 | 1.08 | 0.32 | 0.47 | 3.87 | 0.34 | 0.74 | 0.21 |
VAL | |||||||||||||||
R2 | 0.28 | 0.17 | 0.18 | 0.70 | 0.25 | 0.69a | 0.00 | 0.23 | 0.48a | 0.28 | 0.01 | 0.32 | 0.03 | 0.31 | 0.00 |
NMB (%) | −2 | 9 | 14 | 35 | 56 | 37 | −16 | 61 | 70 | 4 | 17 | 77 | −34 | 38 | −35 |
MFB (%) | 41 | 14 | 30 | 43 | 50 | 43 | 48 | 50 | 62 | 14 | 29 | 69 | 46 | 38 | 38 |
FA2 (%) | 50 | 88 | 75 | 75 | 63 | 75 | 75 | 63 | 50 | 88 | 75 | 38 | 50 | 75 | 25 |
FA3 (%) | 63 | 100 | 75 | 88 | 88 | 88 | 75 | 88 | 50 | 100 | 88 | 63 | 75 | 100 | 38 |
Model 3 | |||||||||||||||
TR | |||||||||||||||
R2 | 0.17 | 0.74a | 0.65a,b | 0.38a | 0.39a,b | 0.37a | 0.21a | 0.36a,b | 0.44a | 0.27a | 0.39a | 0.49a | 0.43a | 0.04 | 0.56a |
R2adj | 0.12 | 0.72a | 0.63a,b | 0.34a | 0.36a,b | 0.33a | 0.16a | 0.32 a,b | 0.41a | 0.23a | 0.35a | 0.46a | 0.39a | −0.01 | 0.52a |
SE | 2.97 | 0.82 | 8.70 | 1.45 | 1.65 | 3.90 | 0.21 | 1.96 | 0.86 | 0.28 | 0.39 | 2.91 | 0.27 | 0.78 | 0.15 |
VAL | |||||||||||||||
R2 | 0.34 | 0.25 | 0.67a | 0.93a | 0.57a | 0.91a | 0.37 | 0.54a | 0.81a | 0.37 | 0.05 | 0.83a | 0.93a | 0.67a | 0.85a |
NMB (%) | −5 | −1 | 4 | 23 | 36 | 25 | 2 | 37 | 21 | −1 | −2 | 20 | −1 | 31 | −33 |
MFB (%) | 40 | 4 | 21 | 36 | 38 | 35 | 60 | 36 | 27 | 7 | 12 | 29 | 66 | 38 | 31 |
FA2 (%) | 50 | 88 | 75 | 75 | 63 | 75 | 63 | 75 | 88 | 88 | 75 | 100 | 63 | 75 | 38 |
FA3 (%) | 50 | 100 | 88 | 88 | 100 | 88 | 75 | 100 | 100 | 100 | 100 | 100 | 75 | 100 | 38 |
Model 4 | |||||||||||||||
TR | |||||||||||||||
R2 | 0.51a | 0.44a | 0.53a | 0.56a | 0.63a | 0.60a | 0.24a | 0.63a | 0.62a | 0.79a | 0.43a | 0.67a | 0.30a | 0.79a | 0.12a |
R2adj | 0.51a | 0.44a | 0.52a | 0.56a | 0.63a | 0.60a | 0.24a | 0.63a | 0.62a | 0.79a | 0.43a | 0.67a | 0.30a | 0.79a | 0.12a |
SE | 1.24 | 0.89 | 11.30 | 0.89 | 0.91 | 2.19 | 0.22 | 0.98 | 0.33 | 0.38 | 0.35 | 1.23 | 0.26 | 0.38 | 0.28 |
VAL | |||||||||||||||
R2 | 0.02 | 0.16 | 0.19 | 0.03 | 0.00 | 0.01 | 0.27 | 0.00 | 0.03 | 0.03 | 0.02 | 0.07 | 0.32 | 0.00 | 0.02 |
NMB (%) | −25 | −21 | −1 | −18 | −22 | −20 | −19 | −29 | −10 | −22 | −14 | −19 | −24 | 10 | −27 |
MFB (%) | −37 | −18 | 9 | −48 | −45 | −45 | −20 | −47 | −33 | 24 | 20 | −38 | −33 | −34 | 106 |
FA2 (%) | 39 | 81 | 73 | 66 | 57 | 58 | 56 | 59 | 58 | 66 | 72 | 56 | 49 | 74 | 33 |
FA3 (%) | 58 | 97 | 90 | 82 | 75 | 74 | 78 | 78 | 78 | 93 | 88 | 81 | 72 | 90 | 52 |
Model 5 | |||||||||||||||
TR | |||||||||||||||
R2 | 0.02 | 0.16a | 0.11a | 0.07a | 0.13a | 0.13a | 0.19a | 0.15a | 0.20a | 0.28a | 0.05 | 0.32a | 0.26a | 0.13a | 0.08 |
R2adj | 0.01 | 0.16a | 0.11a | 0.07a | 0.12a | 0.12a | 0.19a | 0.15a | 0.19a | 0.28a | 0.04 | 0.31a | 0.26a | 0.13a | 0.07 |
SE | 1.13 | 0.98 | 9.81 | 0.94 | 1.08 | 2.60 | 0.22 | 1.34 | 0.33 | 0.64 | 0.26 | 1.28 | 0.25 | 0.47 | 0.41 |
VAL | |||||||||||||||
R2 | 0.27 | 0.06 | 0.12 | 0.08 | 0.14 | 0.11 | 0 | 0.1 | 0.16 | 0.05 | 0 | 0.02 | 0 | 0.11 | 0.06 |
NMB (%) | −30 | −16 | −23 | −16 | −27 | −23 | −20 | −26 | −30 | −11 | −21 | 2 | −29 | −19 | 26 |
MFB (%) | −27 | −16 | −19 | −27 | −42 | −39 | −50 | −44 | −30 | 27 | 14 | 14 | 3 | −25 | 119 |
FA2 (%) | 44 | 74 | 51 | 61 | 55 | 52 | 64 | 51 | 58 | 70 | 64 | 54 | 56 | 65 | 31 |
FA3 (%) | 63 | 88 | 70 | 76 | 73 | 72 | 86 | 74 | 77 | 88 | 83 | 77 | 68 | 83 | 44 |
Model 6 | |||||||||||||||
TR | |||||||||||||||
R2 | 0.39a | 0.47a | 0.51a | 0.81a | 0.82a | 0.83a | 0.70a | 0.83a | 0.79a | 0.87a | 0.48a | 0.86a | 0.75a | 0.42a | 0.49a |
R2adj | 0.38a | 0.45a | 0.50a | 0.81a | 0.82a | 0.83a | 0.70a | 0.81a | 0.78a | 0.87a | 0.47a | 0.81a | 0.75a | 0.41a | 0.48a |
SE | 2.85 | 0.97 | 12.31 | 1.43 | 1.42 | 3.39 | 0.23 | 1.67 | 1.24 | 1.18 | 0.72 | 3.31 | 0.34 | 0.9 | 0.39 |
VAL | |||||||||||||||
R2 | 0.48a | 0.44a | 0.53a | 0.64a | 0.62a | 0.52a | 0.66a | 0.62a | 0.71a | 0.94a | 0.36a | 0.83a | 0.61a | 0.06 | 0.08 |
NMB (%) | −25 | −20 | −7 | −10 | −15 | −23 | −6 | 14 | −22 | 8 | −6 | −28 | −39 | 17 | −40 |
MFB (%) | 44 | −8 | 14 | 6 | 11 | 4 | 25 | 41 | −24 | 16 | 13 | −7 | 16 | 23 | 27 |
FA2 (%) | 43 | 80 | 61 | 73 | 69 | 66 | 63 | 56 | 49 | 57 | 76 | 60 | 42 | 64 | 31 |
FA3 (%) | 61 | 92 | 83 | 87 | 90 | 87 | 75 | 84 | 72 | 84 | 91 | 83 | 62 | 84 | 49 |
Model 7 | |||||||||||||||
TR | |||||||||||||||
R2 | 0.13a | 0.09a | 0.02a | 0.01 | NVE | 0.01 | 0.22a | 0.02 | 0.04a | 0.01 | NVE | 0.05a | 0.27a | 0.05a | 0.09a |
R2adj | 0.12a | 0.08a | 0.02a | 0.01 | NVE | 0.01 | 0.21a | 0.01 | 0.04a | 0.01 | NVE | 0.04a | 0.27a | 0.04a | 0.09a |
SE | 3.38 | 1.25 | 17.17 | 3.25 | NVE | 8.16 | 0.36 | 4.46 | 2.61 | 3.21 | NVE | 7.42 | 0.59 | 1.16 | 0.5 |
VAL | |||||||||||||||
R2 | 0.08 | 0.18 | 0.05 | 0.00 | 0.03 | 0.05 | 0.00 | 0.03 | 0.01 | 0.01 | 0.01 | 0.04 | 0.44 | 0.05 | 0.01 |
NMB (%) | −31 | −21 | 1 | −96 | 140 | −94 | 768 | −56 | 45 | 144 | −52 | −70 | −7 | −22 | 23 |
MFB (%) | 15 | −10 | 12 | −92 | 80 | −153 | 163 | −38 | 36 | 92 | −93 | −60 | 53 | −28 | 67 |
FA2 (%) | 37 | 87 | 57 | 39 | 13 | 1 | 1 | 43 | 33 | 24 | 28 | 55 | 39 | 48 | 45 |
FA3 (%) | 67 | 94 | 79 | 54 | 30 | 9 | 6 | 70 | 61 | 34 | 37 | 75 | 55 | 81 | 63 |
NVE, no variable entered in the stepwise regression. Sample sizes (training/validation data sets): model 1, 58/19; models 2 and 3, 40/10; models 4–7, 370/120.
Represent significant correlation values at 0.01 level.
The workplace concentration coefficient γ is significant at the 0.01 level.