Betulinic acid_test #43 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
-6.111
Median docking
-6.757
High Priority count
0

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
TF65 RELA -6.470 0.230 1.000 89.60 Low Priority
NFKB1 NFKB1 -5.010 0.000 1.000 89.16 Low Priority
PD2R2 PTGDR2 -10.660 0.000 0.583 82.50 Novel Strong Binder
VGFR2 KDR -8.900 0.000 0.562 80.05 Novel Strong Binder
PTN1 PTPN1 -4.260 1.920 1.000 79.50 Low Priority
PGH1 PTGS1 -6.840 0.000 0.778 79.38 Low Priority
RHOA RHOA -6.730 0.040 0.724 77.48 Low Priority
STAT3 STAT3 -6.520 0.210 0.750 77.25 Low Priority
PPARA PPARA -6.770 0.080 0.714 77.04 Low Priority

Grouped Summary

ProteinScorable RowsMean Score
TF65 1 89.60
NFKB1 1 89.16
PD2R2 1 82.50
VGFR2 1 80.05
PTN1 1 79.50
PGH1 1 79.38
RHOA 1 77.48
STAT3 1 77.25
PPARA 1 77.04
IKKB 1 76.57
GeneScorable RowsPriority Score
RELA 1 89.60
NFKB1 1 89.16
PTGDR2 1 82.50
KDR 1 80.05
PTPN1 1 79.50
PTGS1 1 79.38
RHOA 1 77.48
STAT3 1 77.25
PPARA 1 77.04
IKBKB 1 76.57