We changed one line and the benchmark score moved 0.21 AUROC

FINAL-Bench’s LEADBOARD is a drug-property prediction benchmark comprising 21 boards, 212,670 training compounds, and 18,382 held-out compounds across absorption, metabolism, toxicity, potency, kinases, cell morphology, and post-marketing withdrawal. Its creators argue that evaluation design strongly affects reported performance, citing a hERG experiment in which identical Morgan fingerprint and LightGBM models achieved AUROC 0.606 under a temporal split but an average of 0.818 under random splits, largely because random splitting places closely related chemical analogues on both sides of the test boundary. The benchmark therefore uses time or scaffold splits, publishes simple constant and nearest-neighbor baselines alongside LightGBM, and labels boards by split type and source accessibility. It also estimates experimental label noise from cross-publication measurement differences, finding substantial variation for hERG and using a noise-floor estimate to contextualize scores, prioritize regression where classification labels near a cutoff may be unstable, and limit leaderboard feedback through a Ladder-style mechanism that reveals only improvements larger than measurement uncertainty. Additional safeguards include testing for confounding variables, such as approval year in drug-withdrawal prediction, versioned scoring artifacts, hidden labels, and licensing details, while the authors emphasize that the benchmark is intended to make scores more comparable rather than claim prospective validation or invalidate other benchmarks.

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