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writing-review and editing, JC, KMK, H-DH, and BTZ

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A., Bozymski, E

In order to select the appropriate model, we employed an objective function comprised of specificity values, the proportion of true negatives identified within decoys excluded from training, the percentage of active compounds identified from the family, and the percentage of compounds from the binding database not associated with the family, then we established an ML model for each family, as delineated in Table 4