most citedData Leakage and Redundancy in the LIT-PCBA Benchmark

4 citations · 4 across the 1 of their papers we have counts for

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1 paper

cs.LG2025★ 4 cited

Data Leakage and Redundancy in the LIT-PCBA Benchmark

Amber Huang, Ian Scott Knight, Slava Naprienko

LIT-PCBA is widely used to benchmark virtual screening models, but our audit reveals that it is fundamentally compromised. We find extensive data leakage and molecular redundancy a…