Moleculogic unifies molecular design, virtual wet lab falsification, decentralized verified compute, SEI regulatory interpretation, and collaborative deal-room packaging into one closed-loop MetalDrug workspace.
Traditional computer-aided drug design platforms are often isolated from verification, regulatory packaging, and evidence governance. Moleculogic closes that gap by treating each compound as a causal architecture, not a static formula. The platform is designed to eliminate non-viable molecular trajectories digitally before chemical synthesis, then carry surviving evidence into verified compute and regulatory packaging.
The first stage defines the compound's causal architecture. In Moleculogic, a drug is treated as a programmable state-machine designed to execute conditional therapeutic behavior.
A node-based canvas where non-technical researchers map metal, trigger, linker, payload, and function nodes into a machine-readable blueprint.
Configures multi-component drug complexes by scaffold, targeting layer, linker system, payload behavior, and delivery environment.
Programs metal-centered coordination chemistry, oxidation state, ligand exchange behavior, geometry, and activation thresholds.
The Virtual Wet Lab is a pre-synthesis contradiction and constraint engine. It is not positioned as a replacement for physical assays. Its job is to find biological, chemical, and regulatory failure modes before capital-intensive experiments begin.
Checks blueprints against biological rules and pathway compensation risks. Contradictions become FLAG_VIOLATION records that block promotion.
Vectorizes binding pockets using persistent homology and compares candidate conformers against target pocket topology.
Compares simulated pharmacokinetic distributions against empirical compound-class behavior to detect optimism bias.
Harvests real-world clinical failure modes and reintegrates them as tighter design constraints for active blueprint scoring.
Blueprints advance only when contradictions, toxicity flags, and evidence gaps are visible and bounded.
The secure compute layer dispatches heavier workloads to ExergyNet, a decentralized peer-to-peer prover swarm. The user sees a predictable quote and a verification receipt. The backend handles job packaging, escrow, prover execution, result reconciliation, hash checks, and settlement.
Pull from the ledger, upload SDF/PDB/SMI/MOL2/JSON, or paste a validated chemical string.
The pricing oracle estimates cost by molecule size, compute class, and gate complexity.
A randomized node executes ADMET, dynamics, package compiling, or encrypted screening workloads.
Input hash, output hash, node signature, proof hash, and settlement record are reconciled.
User job → MetalDrug package → ExergyNet dispatch → Prover swarm execution → Secure result sump → Local hash reconciliation → On-chain proof check → ZK-verified result → SEI interpretation → Deal room attachment
SEI is the cognitive bridge between computed data and human regulatory affairs. It binds the active blueprint, verified database values, regulatory context, and document needs into a constrained interpretation layer.
A stateful copilot that reads the active blueprint context and explains mechanism logic, drug-drug interaction risks, evidence gaps, and package needs without inventing values outside the database context.
A model-risk calculator that maps model influence and decision consequence into risk category, validation burden, and NAM requirements.
The packaging layer turns validated simulations and SEI interpretation into collaborative IND and eCTD workflows. Rooms are organized by FDA gates, role permissions, document state, and attached compute evidence.
Invite owners, editors, auditors, and viewers with clear document permissions.
Commit-time parsing blocks or flags values that contradict the active blueprint safety limits or verified compute outputs.
Attach ExergyNet simulation results directly into nonclinical, CMC, FDA meeting, and evidence appendix documents.
Validated documents → cEIP proof cards → release workflow → eCTD export package → FDA ESG-ready zip structure → audit history and provenance trail
Use Navigator, FDC Designer, or MDC Builder to define the therapeutic state machine.
Detect contradictions, topology mismatch, ADMET divergence, and clinical failure analogs.
Run verified ADMET, dynamics, docking, screening, or IND compiler jobs through ExergyNet.
Use SEI to convert outputs into regulatory meaning, then attach evidence to deal room documents.
MetalDrug can route the inquiry into molecular design, virtual wet lab validation, ExergyNet compute, SEI regulatory interpretation, or deal room packaging.