Ibuprofen_21 #49 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
-6.236
Median docking
-6.253
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
PGH2 PTGS2 -7.413 0.160 1.000 86.91 Moderate
AHR AHR -8.195 0.075 0.545 75.49 Moderate
MMP9 MMP9 -8.040 0.030 0.526 74.21 Moderate
PGH1 PTGS1 -5.540 0.000 1.000 73.82 Low Priority
SYK KARS1 -7.630 0.000 0.517 71.01 Moderate
IKKA CHUK -8.000 0.000 0.367 69.46 Low Priority
NOS3 NOS3 -7.420 0.000 0.484 68.33 Low Priority
MMP8 MMP8 -8.070 0.410 0.463 68.13 Low Priority
VGFR2 KDR -7.260 0.000 0.500 67.54 Moderate

Grouped Summary

ProteinScorable RowsMean Score
PGH2 1 86.91
AHR 1 75.49
MMP9 1 74.21
PGH1 1 73.82
SYK 1 71.01
IKKA 1 69.46
NOS3 1 68.33
MMP8 1 68.13
VGFR2 1 67.54
CXCR1 1 67.36
GeneScorable RowsPriority Score
PTGS2 1 86.91
AHR 1 75.49
MMP9 1 74.21
PTGS1 1 73.82
KARS1 1 71.01
CHUK 1 69.46
NOS3 1 68.33
MMP8 1 68.13
KDR 1 67.54
CXCR1 1 67.36