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. 2018 Apr 24;23(5):1002. doi: 10.3390/molecules23051002

Table 6.

Validation of the MLR models.

Training Set R 2 F RMS Test Set R 2 F RMS
Group 1
A + B + C + D 0.829 51.697 0.192 T 0.917 13.820 0.222
A + B + C + T 0.735 30.457 0.261 D 0.874 48.592 0.153
B + C + D + T 0.742 31.565 0.255 A 0.795 27.199 0.217
A + C + D + T 0.723 28.775 0.259 B 0.889 55.784 0.173
A + B + D + T 0.744 31.912 0.247 C 0.835 35.501 0.217
Average 0.755 34.881 0.243 0.862 36.180 0.196
Group 2
A + B + C + D 0.803 76.016 0.222 T 0.852 51.678 0.193
A + B + C + T 0.802 75.661 0.225 D 0.748 38.559 0.256
B + C + D + T 0.784 67.805 0.235 A 0.857 78.133 0.193
A + C + D + T 0.786 68.459 0.233 B 0.818 58.416 0.221
A + B + D + T 0.780 66.184 0.235 C 0.831 63.981 0.218
Average 0.791 70.834 0.230 0.821 58.153 0.216
Group 3
A + B + C + D 0.789 13.720 0.260 T 0.733 260.404 0.380
A + B + C + T 0.760 29.502 0.263 D 0.927 63.850 0.115
B + C + D + T 0.755 27.787 0.254 A 0.899 53.612 0.170
A + C + D + T 0.762 28.869 0.250 B 0.917 66.385 0.159
A + B + D + T 0.754 27.573 0.248 C 0.846 32.957 0.237
Average 0.764 25.490 0.255 0.864 95.442 0.212