Base_docking_6 #11 Analytics

Default analytics flow on this page does not affect Spider Plot thresholds or formal report logic.

Applied aggregate method: mean, Top N: 9
Warnings:
  • Rows with missing docking score: 0
  • Rows with missing similarity score: 1
  • Analyzable rows: 63

Total Statics

Mean docking
-7.336
Median docking
-7.307
High Priority count
3

Defalut Config Params Online

Top N
9
Docking threshold
-8.500
Similarity thresholds
interaction: 0.900, known: 0.950

Rule bonus
all-models-pass: 15, interaction: 10, known: 5
Rule Bonus Raw = (Bonus all-models-pass × AllModelsPassDocking) + (Bonus interaction × PassSimilarityInteraction) + (Bonus known × PassSimilarityKnown)
Rule Bonus Norm = Rule Bonus Raw ÷ (Bonus all-models-pass + Bonus interaction + Bonus known)
Priority weights
docking: 40, similarity: 30, consistency: 20, ruleBonus: 10
Priority Score = (Docking Weight × Docking Mean Score) + (Similarity Weight × Similarity Score Norm) + (Consistency Weight × Consistency Score) + (Rule Bonus Weight × Rule Bonus Norm)
Docking Mean Score usesreverse min-max normalization within the current scorable batch; Similarity Score Normuses forward min-max normalization; Consistency Score uses reverse min-max normalization on Docking Std.
Higher Priority Score means higher relative priority within the current batch; it does not by itself mean that the candidate has passed the platform threshold criteria.

Set Config Params Online

Figure Plot Online

Docking distribution
Similarity distribution
Top candidates bar
Model boxplot
Temporary pseudo-boxplot; planned migration to a true boxplot chart component/plugin.
Priority scatter
Model correlation heatmap

Top N Candidates

Protein Symbol Gene Symbol Docking Mean Docking Std Similarity Priority Score Candidate Class
MMP9 MMP9 -9.685 0.075 0.931 94.56 High Priority
VGFR2 KDR -9.530 0.000 0.931 94.27 High Priority
AHR AHR -9.820 0.570 1.000 94.13 Known-like Strong
PGH2 PTGS2 -9.010 0.281 1.000 91.56 High Priority
IKKB IKBKB -9.140 0.000 0.816 84.83 Novel Strong Binder
PTN22 PTPN22 -8.650 0.000 0.888 83.62 Novel Strong Binder
MET MET -8.430 0.000 0.931 81.73 Moderate
PPARA PPARA -7.620 0.000 1.000 79.93 Moderate
FAK1 PTK2 -7.875 0.115 0.931 76.75 Moderate

Grouped Summary

ProteinScorable RowsMean Score
MMP9 1 94.56
VGFR2 1 94.27
AHR 1 94.13
PGH2 1 91.56
IKKB 1 84.83
PTN22 1 83.62
MET 1 81.73
PPARA 1 79.93
FAK1 1 76.75
CXCR1 1 74.13
GeneScorable RowsPriority Score
MMP9 1 94.56
KDR 1 94.27
AHR 1 94.13
PTGS2 1 91.56
IKBKB 1 84.83
PTPN22 1 83.62
MET 1 81.73
PPARA 1 79.93
PTK2 1 76.75
CXCR1 1 74.13