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"If the brain were so simple we could understand it, we would be so simple we couldn't."
- Lyall Watson
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MisFit-style pipeline figures + error-budget visuals (from provided raw results)
Visuals below are constructed only from the provided quantitative excerpts and the explicitly stated limitations/biases in the source papers.
GmrSD pocket 1: top PMDM-generated molecule docking energies (kcal/mol)
YadV: PMDM lead energies for multi-pocket targeting (kcal/mol)
4) Explainability outputs: residue-level highlights (qualitative, residue set from excerpt)
What you can plug into a real βMisFit error budgetβ dashboard
Since the provided excerpt supplies several named computational error sources but no numeric uncertainty distributions, the most defensible βerror budgetβ visuals are (i) stage-to-error mapping (shown above), and (ii) audit plots of how filters/thresholds shrink candidate sets (counts shown above).
Numeric βuncertainty barsβ would require additional raw experimental variance/replicate data not present in the provided excerpts.
It extracts APEX pipeline stage metrics from the provided excerpt, computes derived percentages (e.g., intersection rates), and generates Plotly-ready arrays for counts, AUC, and docking-energy bar charts.
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