Methotrexate #1 Analytics

Default analytics flow on this page is aligned with Python raw-data-first handling as closely as possible, while still preserving the analysis-space parameter panel and exports. It 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
-7.554
Median docking
-7.855
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
MMP9 MMP9 -9.930 0.080 0.771 87.33 Novel Strong Binder
PADI4 PADI4 -7.535 0.095 1.000 79.27 Moderate
S19A1 SLC19A1 -8.455 0.775 1.000 78.16 Moderate
JAK2 JAK2 -9.675 0.225 0.534 77.20 Novel Strong Binder
TYK2 TYK2 -9.270 0.030 0.534 76.65 Novel Strong Binder
NOS3 NOS3 -9.300 0.000 0.508 76.36 Novel Strong Binder
VGFR2 KDR -9.090 0.000 0.532 75.77 Novel Strong Binder
HMR1 MR1 -9.640 0.000 0.410 75.50 Novel Strong Binder
SYK KARS1 -9.120 0.000 0.467 74.00 Novel Strong Binder

Grouped Summary

ProteinScorable RowsMean Score
MMP9 1 87.33
PADI4 1 79.27
S19A1 1 78.16
JAK2 1 77.20
TYK2 1 76.65
NOS3 1 76.36
VGFR2 1 75.77
HMR1 1 75.50
SYK 1 74.00
MET 1 73.54
GeneScorable RowsPriority Score
MMP9 1 87.33
PADI4 1 79.27
SLC19A1 1 78.16
JAK2 1 77.20
TYK2 1 76.65
NOS3 1 76.36
KDR 1 75.77
MR1 1 75.50
KARS1 1 74.00
MET 1 73.54