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Table 4 Similarity values of the compounds in the test set

From: CAESAR models for developmental toxicity

prediction concordance

similarity score 1

number of compounds

True negative (TN)

0.828 +/- 0.075

10

True positive (TP)

0.829 +/- 0.089

39

False positive (FP)

0.717 +/- 0.062

7

False negative (FN)

0.716 +/- 0.087

2

Correctly predicted

0.829 +/- 0.085

49

Incorrectly predicted

0.717 +/- 0.062

9

  1. 1. Average of the averages for similarity values of the three most similar compounds (mean +/- standard deviation).
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BMC Chemistry

ISSN: 2661-801X

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