Sulfasalazine_28 #56 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
-7.625
Median docking
-7.915
High Priority count
1

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
JAK2 JAK2 -9.945 0.185 1.000 96.65 High Priority
XCT SLC7A11 -8.240 0.100 1.000 82.55 Moderate
NOS3 NOS3 -10.200 0.000 0.320 74.59 Novel Strong Binder
MK01 MAPK1 -7.647 0.609 1.000 73.97 Moderate
IKKB IKBKB -9.200 0.000 0.473 73.36 Novel Strong Binder
VGFR2 KDR -8.700 0.000 0.554 72.86 Novel Strong Binder
SYK KARS1 -9.850 0.000 0.327 72.77 Novel Strong Binder
ABCG2 ABCG2 -6.635 0.145 1.000 72.73 Low Priority
JAK1 JAK1 -9.160 0.130 0.462 71.47 Novel Strong Binder

Grouped Summary

ProteinScorable RowsMean Score
JAK2 1 96.65
XCT 1 82.55
NOS3 1 74.59
MK01 1 73.97
IKKB 1 73.36
VGFR2 1 72.86
SYK 1 72.77
ABCG2 1 72.73
JAK1 1 71.47
PD2R2 1 71.47
GeneScorable RowsPriority Score
JAK2 1 96.65
SLC7A11 1 82.55
NOS3 1 74.59
MAPK1 1 73.97
IKBKB 1 73.36
KDR 1 72.86
KARS1 1 72.77
ABCG2 1 72.73
JAK1 1 71.47
PTGDR2 1 71.47