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Table 5 Analysis of the TMACC interpretation of the DHFR data set.

From: Interpretable correlation descriptors for quantitative structure-activity relationships

  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
  1. Table shows frequency of activity of DHFR inhibitor features as determined by the TMACC interpretation