MetalDrug Technology - Logic-Driven Molecular Design

How MetalDrug Technology Works

MetalDrug operates at the frontier of deterministic molecular engineering. Our core system—comprising MDC, FDC, and the Moleculogic Engine—functions as a tiered, logic-verified simulation and generation platform for designing novel therapeutic compounds.

1

Input Stage: Molecular Logic Definition

Users, scientists, or SEI itself define a molecular logic goal—e.g., a compound that activates only under tumor pH and high ROS levels. This logic becomes the blueprint directive.

Blueprint Directive

Logic gates translated to molecular blueprint

2

Moleculogic Engine: Logic-to-Molecule Conversion

The Moleculogic Engine transforms this directive into candidate molecular structures via logic parsing, trigger-response mapping, and molecular candidate generation.

Logic Translation

Boolean logic gates (AND, OR, NOT, XOR) map to biochemical triggers

3

Scoring & Simulation: SEI Integration

Each candidate undergoes deterministic simulation and scoring based on entropy class, risk level, and confidence score.

Performance Metrics

Comprehensive scoring evaluates functionality and safety

4

MDC/FDC Export: Therapeutic Deployment

Once validated, compounds are routed into MDC (metal-coordinated constructs) or FDC (non-metal alternatives) depending on the application requirements.

Therapeutic Payload

Compounds traceable to original logic blueprint

Interactive Molecule Showcase

Explore the Moleculogic approach through this interactive visualization. Click on a molecule type below to see different structures and their logical frameworks.

Metal Drug Complex (MDC)

Coordination-driven therapeutic design leveraging metal-ligand interactions for programmable drug behavior. The metal center acts as a logic hub that responds to specific environmental triggers like pH and redox potential.

Logic Gate Structure

Trigger

pH < 6.5

Trigger

ROS > 100 μM

AND Logic

Response

Ligand Release + Metal Activation

Moleculogic Engine Explained

Logic, Not Luck

Unlike black-box drug discovery methods, MetalDrug builds every molecule on transparent logic, scientific reproducibility, and simulation-audited intent. This ensures compounds are not just generated—but explained, validated, and trusted.

The SEI (Structured Entropy Intelligence) converts input conditions into a validated structure through deterministic simulation and scoring. Each compound is traceable back to its original logic blueprint, allowing transparent justification of mechanism and purpose.

Why It Matters

Transparent mechanism of action for regulatory approval
Reduced off-target effects with logic-driven design
Accelerated discovery-to-clinical timeline

Blueprint Logic Example

"blueprint": {
  "id": "MDC-2025-A7B9",
  "logic_gates": [
    {
      "type": "AND",
      "inputs": [
        {
          "trigger": "pH",
          "condition": "<",
          "threshold": 6.5
        },
        {
          "trigger": "ROS",
          "condition": ">",
          "threshold": 100,
          "unit": "μM"
        }
      ],
      "output": "ligand_release"
    }
  ],
  "metal_center": {
    "element": "Zn",
    "coordination": "octahedral",
    "oxidation_states": [2, 3]
  },
  "ligands": [
    {
      "type": "peptide",
      "sequence": "Cys-His-His-Met",
      "binding_sites": [0, 1, 2]
    },
    {
      "type": "small_molecule",
      "smiles": "CN1C=NC2=C1C(=O)N(C(=O)N2C)C",
      "binding_sites": [3, 4, 5]
    }
  ],
  "scoring": {
    "entropy_class": "B+",
    "risk_level": "low",
    "confidence_score": 0.87
  }
}

Blueprint Evolution

The blueprint evolves through simulation stages, with each iteration improving scoring metrics and structural stability until it reaches deployment readiness.

Tiered Access Overview

MetalDrug offers a structured access model designed to accommodate different user needs, from public exploration to secure co-development environments.

Tier 0: Preview Mode

Public read-only access to daily blueprints and simplified molecular visualization.

Daily blueprint feed
Basic visualization
Public publication access

Access Now

Tier 1: Secure Sandbox

Secure environment for blueprint creation, simulation, and validation with NDA protection.

Blueprint creation
Secure simulations
Export capabilities
NDA protection

Request Access

Tier 2: Scientific Evaluation

Advanced features for scientific teams with reviewer feedback and collaboration tools.

Expert reviewer access
Advanced simulations
Collaboration tools
Regulatory documentation

Request Evaluation

Tier 3: Industry Deployment

Full partnership tier with licensing options, co-development, and commercialization support.

Full platform licensing
Co-development
Regulatory support
Commercialization path

Explore Licensing

Compound of the Day

Explore the latest molecular blueprints generated by our Moleculogic Engine Discovery system.

Risk: Low

Entropy: B+

MDC-2025-A7B9

May 1, 2025

A zinc-centered coordination complex with dual pH and ROS responsive ligand release mechanism, designed for targeted tumor microenvironment activation.

Trigger Conditions

pH < 6.5 ROS > 100 μM

Logic Structure

AND Gate Confidence: 87%

View Full Details Download JSON

Validation & Regulatory Logic

Our approach ensures transparency, traceability, and regulatory readiness for pharmaceutical partners.

Logic Audit Trail

Every molecule is traceable back to its original logic intent, providing complete transparency in the design process and decision-making.

Version-controlled blueprint history
Simulation parameter tracking
Decision justification records

SEI Compliance

Structured Entropy Intelligence ensures that all reasoning is validated and follows deterministic pathways that can be independently verified.

Logic validation checkpoints
Deterministic simulation paths
Third-party verification support

FDA-Ready Blueprint Export

Structured logic and metadata are formatted for regulatory submission, making the path to approval more straightforward and transparent.

FDA/EMA submission templates
Mechanism of action documentation
Safety profile generation

Join the Logic-First Revolution

Whether you're a researcher, investor, or pharmaceutical partner—MetalDrug invites you to step into the future of deterministic molecular engineering.

Request Access Explore Moleculogic

Rational Drug Design, Rewritten in Logic