Table 5 Analysis of the TMACC interpretation of the DHFR data set.
From: Interpretable correlation descriptors for quantitative structure-activity relationships
| Â | Activity | ||
|---|---|---|---|
DHFR inhibitor feature | Negative | Neutral | Positive |
2-amino nitrogen | 155 | 81 | 161 |
4-amino nitrogen | 110 | 61 | 212 |
N1-nitrogen | 307 | 58 | 32 |
C8 Quinazoline | 0 | 5 | 45 |
N8 Pyrido [2,3-d]pyrimidine | 68 | 16 | 11 |
5-methyl | 1 | 0 | 64 |
9-methyl | 0 | 1 | 16 |
10-methyl | 10 | 3 | 57 |
Benzylmethoxy - methyl | 5 | 6 | 392 |