Leflunomide_27 #55 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
-7.001
Median docking
-7.030
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
AHR AHR -9.690 0.090 1.000 98.91 High Priority
NOS3 NOS3 -8.810 0.000 0.562 76.30 Novel Strong Binder
MK14 MAPK14 -8.337 0.118 0.703 71.12 Moderate
HCK HCK -8.903 0.225 0.452 70.86 Novel Strong Binder
BTK BTK -8.455 0.215 0.694 70.42 Moderate
PGH2 PTGS2 -8.657 0.191 0.634 70.19 Novel Strong Binder
VGFR2 KDR -8.170 0.000 0.634 69.44 Moderate
MMP8 MMP8 -8.745 0.015 0.341 69.08 Novel Strong Binder
PADI4 PADI4 -6.725 0.685 1.000 67.97 Low Priority

Grouped Summary

ProteinScorable RowsMean Score
AHR 1 98.91
NOS3 1 76.30
MK14 1 71.12
HCK 1 70.86
BTK 1 70.42
PGH2 1 70.19
VGFR2 1 69.44
MMP8 1 69.08
PADI4 1 67.97
MET 1 66.93
GeneScorable RowsPriority Score
AHR 1 98.91
NOS3 1 76.30
MAPK14 1 71.12
HCK 1 70.86
BTK 1 70.42
PTGS2 1 70.19
KDR 1 69.44
MMP8 1 69.08
PADI4 1 67.97
MET 1 66.93