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b075954 d875b22 b075954 d875b22 b075954 d875b22 b075954 d875b22 b075954 d875b22 b075954 | 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 | # Application Flowchart
## Data Pipeline
```mermaid
flowchart TD
A[Variant list CSV/XLSX] --> B[HGVS parse + NP_000537.3 QC]
B --> C{Mutation class}
C -->|Missense| D[Literature or physics ΔΔG]
C -->|Stop-gain / splice| E[Alternative strategy]
D --> F[Cavity volume + SiteMap-like Dscore]
F -->|Gate open| G[Library + Lipinski/Veber/QED]
F -->|Hold/closed| E
G --> H[Complementarity / Kd→ΔG]
H --> I[Matched WT vs mutant scores]
I --> J[ADMET + occupancy MD proxies]
J --> K["R(c,m) Rescue/Opportunity"]
K --> M[Dashboard + PDF / CSV]
E --> M
U[Optional uploaded dock_mut/dock_wt] --> I
```
## Scoring
```mermaid
flowchart TD
Kd[Published Kd] -->|ΔG = RT ln Kd| Bmut[Bmut]
Emp[Volume/hydrophobic complementarity] --> Bmut
WT[Matched WT protocol] --> Sel[Selectivity]
Bmut --> R[Rescue / Opportunity Score]
Sel --> R
MD[Occupancy / RMSD / MMGBSA] --> R
Fr[Cavity + mechanism] --> R
AD[Lipinski Veber Egan QED hERG] --> R
Ev[Evidence] --> R
Risk[Liabilities + OOD] --> R
R --> Rec{Go / Hold / No-go}
```
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