Sum of PS (or SUM): sum of prediction scores from all pathogen models for one compound. This metric can be used to prioritize broad-spectrum antibacterial compounds.

PPF: the ratio of the highest prediction score for a compound (PS1) to the second highest (PS2). This metric can be used to prioritize pathogen-prioritized antibacterial compounds.

Molecular weight: size of the molecule in g/mol

clogP: calculated octanol-water partition coefficient, where high clogP values mean the compound is more lipophilic. clogP is an important metric for solubility and bioavailability.

TNN: The TNN similarity measures the structural similarity (value between 0-1) of an input molecule to the most similar molecule (nearest neighbour) from the training set. TNN similarity closer to 1 indicates the molecules are more similar (TNN similarity = 1 means the molecules are equal). Predictions on compounds that are more similar to the training set are likely to be more accurate. Nearest neighbor SMILES from the training set are included in the TSV.