IsoDock vs Rescore Comparison
Head-to-head comparison of IsoDock native docking (geometric + physics features) versus rescore-only scoring (physics features alone). Rescore AUCs are 5-fold CV with tie-corrected Mann-Whitney U.
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IsoDock Avg AUC
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Rescore Avg AUC
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ACE Delta (Best)
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Total Targets
Target Comparison
| Target ▲ | Class ▲ | IsoDock AUC ▲ | Tier ▲ | Rescore AUC ▲ | Stability ▲ | Y-Scramble ▲ | Delta ▲ | Actives ▲ |
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Methodology: IsoDock native AUCs are from full docking + scoring on DEKOIS2 benchmark sets
using geometric and physics features. Rescore AUCs use only the 14 physics features from
lz-score --emit-terms, validated with 5-fold cross-validation, tie-corrected Mann-Whitney U
statistic, and Y-scramble permutation testing. Delta = IsoDock AUC - Rescore AUC (positive means
docking adds enrichment).