Table 2.
Comparison of training and test sets for all neural networks presented.
| Oral Absorption | LogBB | LogKHSA | |||||||
|---|---|---|---|---|---|---|---|---|---|
| Measure | Training (SD) |
Testing (SD) |
Total | Training (SD) |
Testing (SD) | Total | Training (SD) |
Testing (SD) |
Total |
| LogRRCK | −4.75 (0.53) | −4.70 (0.44) | 0.87 | −4.77 (0.52) | −4.62 (0.50) | 0.61 | −4.78 (0.51) | −4.55 (0.50) | 0.42 |
| Molecular Weight | 324.4 (140.7) | 273.3 (15.2) | 0.49 | 334.7 (129.2) | 226 (90.4) | 0.13 | 327.0 (126.5) | 261.3 (142.1) | 0.37 |
| LogP | 3.52 (3.18) | 3.02 (1.70) | 0.77 | 3.83 (2.97) | 1.59 (2.29) | 0.17 | 3.45 (3.15) | 3.34 (2.05) | 0.95 |
| LogS | −1.51 (3.88) | −1.20 (2.48) | 0.88 | −1.85 (3.83) | 0.32 (1.94) | 0.29 | 1.61 (3.80) | −0.73 (2.99) | 0.67 |
| Oral Absorption | 86.0 (15.3) | 90.5 (16.6) | 0.61 | ||||||
| LogBB | −1.31 (1.02) | −0.47 (0.66) | 0.13 | ||||||
| LogKHSA | −0.02 (1.07) | 0.23 (0.82) | 0.67 | ||||||