SOLANGE — Scientific Oncology Legacy Advancing Non-druggable Ground-state Energetics

Clinical Target Dashboard

NSCLC Non-Druggable Mutation Profiles · Source: TCGA · COSMIC · ClinVar · NGS Report MI25-0349

~60%

NSCLC patients with NO approved targeted therapy

1.53M

Annual NSCLC deaths globally · GLOBOCAN 2022

~580K

Unique NSCLC patients/yr · Class A & B non-druggable mutations

94

Max qubits · IBM Heron r3 · C275F target ~94 (Jordan-Wigner)

Non-Druggable Target Registry — Active Queue

Class	Gene	Mutation	Source	Local e⁻ · Phase 3A	Full e⁻ · Phase 3B	Status
A	TP53	p.Cys275Phe Structural	★ NGS	~24e (local site)	~44e (full active site)	○ Pending
A	STK11	LKB1 Loss-of-function Kinase LOF	📚 Research	~76e (kinase local)	~152e (full domain)	○ Pending
A	STK11	p.Phe354Leu Kinase LOF	📚 Research	~48e (AF · 96q · near-term⚡)	~152e (full domain)	○ Pending
A	STK11	p.Asp194Asn Kinase LOF	📚 Research	~76e (kinase local)	~152e (full domain)	○ Pending
B	KEAP1	p.Cys196Leufs* PPI	★ NGS	~104e (Kelch local)	~155e (full interface)	○ Pending
B	KEAP1	p.Gly333Cys PPI	Sibling	~104e (Kelch local)	~155e (full interface)	○ Pending
B	KEAP1	p.Arg320Gln PPI	Sibling	~80e (AF model · IVR⚠)	~155e (full interface)	○ Pending

★ NGS = detected in patient report MI25-0349 · 📚 Research = TCGA/COSMIC/ClinVar literature target · Sibling = same gene/domain as NGS finding · Class A/B rows are quantum simulation targets · Class C rows filtered out after NGS load

Patient NGS Profile — No report loaded

Biomarker	Result	Implication
EGFR / ALK / KRAS / RET	—	—
TMB	—	—
MSI	—	—
TP53	—	—
KEAP1	—	—

Live Research Pipeline — 1 Active Target

System Online · PennyLane default.qubit · Phase 3A Live

Computational Cost Scaling vs. System Size

━ CCSD(T) · O(N⁷) ╌ FCI · O(2ᴺ) ━ sqDRIFT · O(poly N)

CCSD(T) breaks down past ~18e. sqDRIFT on quantum hardware scales polynomially — placing C275F (44e / 88q) firmly in the quantum-required zone. IBM Heron r3 demonstrated limit: 94q. Core BQP necessity argument for this dissertation.

Orchestration Engine

Quantum kernel · HPC dispatch · AI binding affinity pipeline

Simulation Pipeline — Select a mutation and run to begin

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Target Selection

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Active Space

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Qubit Encoding

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Compute Dispatch

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Result Aggregation

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Validation & Seal

Job Dispatcher — Active Jobs

Layer 1 · Quantum Kernel

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Phase 3A · VQE — Awaiting simulation run

Quantum Kernel · 4-qubit JW Hamiltonian (27 Pauli terms) · PySCF CAS(2e,2o) / STO-3G · sqDRIFT targets Phase 3B

Idle

Layer 2 · HPC + AI

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MD Simulation — 50ns Trajectory Phase 3B

HPC Accelerator · MD Engine · Conformers: ~1,200 · Awaiting Phase 3B

○ Awaiting 3B

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DFT Baseline — B3LYP/6-31G* Phase 3B

HPC Accelerator · DFT Engine · Classical benchmark · Awaiting Phase 3B

○ Awaiting 3B

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AI Binding Affinity Prediction

GNN Model · HPC Accelerator · Waiting for Quantum Kernel output

3A · Quantum input

3B · Full prediction

○ Awaiting 3B

Waiting

Hardware-Agnostic Backend Selector

The orchestration layer abstracts backend choice. Swap hardware without changing the simulation code.

Backend	Type	Algorithm	Status
IBM Heron r3	QC	sqDRIFT (primary algorithm)	⚑ Pending Access · IBM_CONNECT
PennyLane Sim	QC-SIM	VQE (Phase 3A live)	● Active (Phase 3A)
HPC Cluster	HPC	GROMACS / ORCA	● Active
GPU Node	AI	DeepChem GNN	○ Queued
IonQ Aria	QC	VQE (trapped ion)	○ Available

Live VQE Engine — Phase 3A Proxy · sqDRIFT targets Phase 3B (IBM Heron r3)

Results & Benchmarking

VQE Ground-State Energy · Phase 3A Live Results

Phase 3A Live Results — Quantum Simulator · No run yet

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Ground-state energy · active space

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VQE runtime · iterations

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Qubits / gates / depth

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P8 SHA-256 seal · Run a simulation to populate

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95% CI half-width

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Energy variance · convergence quality

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Basis set

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Ansatz · trial wavefunction circuit

PySCF CASSCF(2,2) integrals available
Real ab initio Hamiltonian for TP53 C275F · Phe275 π system · STO-3G

Ground-State Energy by Mutation

Run a simulation to populate

Each dot = one VQE run · hover for value · lower energy = stronger binding

TP53

STK11

KEAP1

Energies in Hartree (Hₐ). More negative = lower ground state = tighter binding. Current session only — Reset clears chart.

VQE Energy Convergence — awaiting simulation

Run a simulation to see the live convergence curve from PennyLane

Energy in Hartree (Hₐ) · X axis: Adam optimizer iterations · Y axis: total ground-state energy · Convergence = energy plateau

All-Target Summary — 1 NSCLC Mutation · BQP Classification & Simulation Status

Target	Mutation	Active e⁻	Qubits (JW)	Method	BQP Class	ΔE Result	Status
TP53	C275F Structural	~44	~88	VQE · Phase 3A	BQP ★	—	○ Pending
KEAP1	C196Leufs* PPI	~155	~310	sqDRIFT · Phase 3B	BQP	—	○ Pending
KEAP1	G333C PPI	~155	~310	sqDRIFT · Phase 3B	BQP	—	○ Pending
KEAP1	R320Q PPI	~155	~310	sqDRIFT · Phase 3B	BQP	—	○ Pending
STK11	LKB1 LOF SL	~152	~304	sqDRIFT · Phase 3B	BQP	—	○ Pending
STK11	F354L Kinase LOF	~48 (local · near-term⚡)	~304	sqDRIFT · Phase 3B	BQP ★	—	○ Pending
STK11	D194N Kinase LOF	~152	~304	sqDRIFT · Phase 3B	BQP ★	—	○ Pending

★ C275F is the primary doctoral target — structural mutant at the classical FCI boundary. JW = Jordan-Wigner encoding. Load an NGS report to add patient-specific targets.

Live Results — Supabase Database (Real Runs)

Loading live results from Supabase...

Compliance & Audit Trail

FDA 21 CFR Part 11 · Reproducibility Engine · Provenance Metadata

No simulation run yet — load an NGS report and run a VQE/sqDRIFT simulation to generate a compliance record.

Audit Trail — Full Run Log

No run completed yet — run a simulation to populate the audit trail.

P1–P9 Provenance Schema

Element	Description	Layer	Status
P1	Circuit fingerprint — ansatz type, gate count, depth, qubit map	QC Kernel	○ Pending
P2	Compilation lineage — transpiler version, SWAP overhead, native gate set	Hybrid	○ Pending
P3	Device & calibration — backend ID, calibration epoch, T1/T2/gate fidelity snapshot	QC Kernel	○ Pending
P4	Error budget snapshot — per-gate error rates at execution time	QC Kernel	○ Pending
P5	Raw outcome distribution — shot-level bitstring histogram before mitigation	QC Kernel	○ Pending
P6	Error-mitigation lineage — ZNE noise factors, Pauli twirling config, mitigation version	Hybrid	○ Pending
P7	Statistical estimator + 95% CI — mitigated energy, bootstrap interval, GNN-corrected value	Hybrid	○ Pending
P8	Cryptographic seal — SHA-256 hash chain P1→P2→…→P7+P9→P8 · tamper-evident seal	Governance	○ Pending
P9	ML-decoder lineage — Nvidia Ising 3D CNN model ID, weight checksum, training corpus hash, inference config (conditional: present when QEC uses a learned ML decoder)	Hybrid	○ Pending

Platform Qualification Record — System Validation Status (VP-2026-001)

IQ — Installation

PASSED

✓ Software stack verified

✓ Hardware connectivity tested

✓ Dependency versions locked

✓ Environment isolation confirmed

Completed: 2026-03-10 · Signed: D. Cohen · Doc: IQ-v1.2

OQ — Operational

PASSED

✓ VQE convergence within spec

✓ ZNE error reduction verified

✓ Audit log integrity confirmed

✓ Backend failover tested

Completed: 2026-03-22 · Signed: D. Cohen · Doc: OQ-v1.1

PQ — Performance

NOT STARTED

○ Cross-backend reproducibility (Phase 3B)

Platform: SOLANGE v0.9.2-alpha Validation lead: D. Cohen · doron.cohen@cgu.edu Protocol: VP-2026-001 Next review: 2026-05-01

🛡 Admin Console

Platform access log · Simulation runs · User management

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Total Runs

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Users

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Mutations Run

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Last Run

All Simulation Runs

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Provenance Audit Log

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User Profiles

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SOLANGE™

Clinical Target Dashboard

Orchestration Engine

Results & Benchmarking

Compliance & Audit Trail