5 citations · 9 across the 2 of their papers we have counts for
2 papers
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…
q-bio.QM2022★ 5 cited
Enrichment Score: a better quantitative metric for evaluating the enrichment capacity of molecular docking models
Ian Scott Knight, Slava Naprienko, John J. Irwin
The standard quantitative metric for evaluating enrichment capacity known as depends on a cutoff parameter that controls what the minimum value of the log-scaled…