2. Summary of the Predictions for 1000 ppb Pencycuron in Various Degrees of Black Tea Matrix.
| blank
spike |
100
times diluted |
10
times diluted |
|||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| compound | matches | label | prediction | avg. P(0) | avg. P(1) | prediction | avg. P(0) | avg. P(1) | prediction | Avg. P(0) | Avg. P(1) |
| Hit A (Pencycuron) | 12 | 1 | 1 | 0.27 | 0.73 | 1 | 0.22 | 0.78 | 1 | 0.29 | 0.71 |
| Hit B | 16 | 0 | 1 | 0.43 | 0.57 | 0 | 0.54 | 0.46 | 1 | 0.40 | 0.60 |
| Hit C | 14 | 0 | 0 | 0.60 | 0.40 | 0 | 0.57 | 0.43 | 0 | 0.56 | 0.44 |
| Hit D | 12 | 0 | 0 | 1.00 | 0.00 | 0 | 1.00 | 0.00 | 0 | 1.00 | 0.00 |
| Hit E | 1 | 0 | 0 | 1.00 | 0.00 | 0 | 1.00 | 0.00 | 0 | 1.00 | 0.00 |
a
InChIKey: OGYFATSSENRIKG-UHFFFAOYSA-N.
b
InChIKey: JTVPZMFULRWINT-UHFFFAOYSA-N.
c
InChIKey: VCKAUONIDRWIGP-UHFFFAOYSA-N.
d
InChIKey: SGUAFYQXFOLMHL-UHFFFAOYSA-N.
e
InChIKey: ZDVGWHJBNGTLKF-UHFFFAOYSA-N.