AI-Assisted Molecular Gel Design for CO2 Capture
Research & Development · Ecology
What it collects
About a measurement
Anonymized data
- Calculated molecular properties and experimentally measured thermodynamic properties of CO2-philic LMWG candidates, derived from advanced molecular modeling simulations and laboratory measurements. No personal data is involved.
Operational data
Anonymized data
- Molecular structures and structural descriptors of candidate building-block molecules used as inputs to the ML models. These are chemical data records, not data about individuals.
- Run by
- Natural Resources Canada (NRCan)
- Where
- No fixed location
- Kept
- Not stated by the Helpful Places.
- Shared with
- Accountable organization
- Your copy
- You cannot see the data it holds about you. What you can do
What it is for
Research & Development
EcologyThis system uses machine learning and molecular simulation to help scientists at Natural Resources Canada discover new gel-forming materials that can capture carbon dioxide. It predicts molecular properties and shortens the time researchers spend on laboratory trial-and-error. The system is used exclusively by Government of Canada employees and does not directly affect members of the public.
What it collects and what happens to it
Data taken in
About a measurement
Anonymized data
- Calculated molecular properties and experimentally measured thermodynamic properties of CO2-philic LMWG candidates, derived from advanced molecular modeling simulations and laboratory measurements. No personal data is involved.
Operational data
Anonymized data
- Molecular structures and structural descriptors of candidate building-block molecules used as inputs to the ML models. These are chemical data records, not data about individuals.
Processing
Classification & Prediction
- Machine learning models predict physical, chemical, and thermodynamic properties of CO2-philic LMWGs from molecular descriptors, enabling prioritization of promising candidates without exhaustive laboratory testing.
What it does
Deciding (Analytical AI)
Human decides
- The ML models predict physical, chemical, and thermodynamic properties of candidate LMWG molecules, scoring and ranking them to guide researchers' experimental choices. Researchers make the final decisions on which materials to pursue.
Outputs
A recommendation or prediction
Anonymized data
- Predicted property scores and rankings of candidate LMWG molecules that guide researchers toward the most promising materials for CO2 capture, accelerating experimental discovery. No binding decisions about individuals are made.
Run by
Natural Resources Canada (NRCan)
- Natural Resources Canada develops and deploys this AI system to support its researchers in discovering CO2-capture materials. The system is used exclusively by Government of Canada employees.
Built by
Government of Canada
- The system was developed by the Government of Canada — no external vendor or contractor is identified in the register entry.
Kept for
Not stated by the Helpful Places.
Shared with
Not available to me
- The system is an internal scientific research tool used only by Government of Canada employees. Its outputs are not accessible to the general public, and it does not process personal data about individuals.
Available to the accountable organization
- Outputs — property predictions and candidate rankings — are available to Natural Resources Canada researchers and GC employees who use the system.
Stored
Not stated by the Helpful Places.
How to read the colours
Can it identify you?
- Anonymized data
- Data about people with the link to who is broken. Stripped of identifiers, blurred, aggregated, or noised so this system can’t reasonably tie a record back to an individual.
- Pseudonymous data
- Each person’s data is tied to a token (hash, ID, template) that lets this system recognise the same person across events, but the token itself doesn’t reveal a name. Reidentification is possible with extra information.
- Identifiable data
- The data either contains a direct identifier (name, address, account name, recognisable face or voice, plate number) or carries a token this system uses to look up legal identity during processing.
Who completes the loop?
- Human decides
- This mode suggests; a person decides what to do next. The AI is always advisory — a human is in the loop on every decision. Example: a triage tool ranks cases for a clinician who chooses which to see first.
- Human executes
- This mode decides; a person carries out the result. Example: an optimizer plans the day’s trash-collection routes, and drivers run them.
- Autonomous
- This mode decides and acts on its own. No person reviews each decision or carries out the resulting action.
Definitions from the DTPR standard. Amber is about your data, violet about who decides. The fuller the shape and the deeper the colour, the more identifying the data or the less a person is involved.
- AI registerGovernment of Canada AI Register — Computationally-driven design of molecular gels for liquid and supercritical CO2 captureNatural Resources Canada, AI Register ID 2526-NRCan-RNCan-010.
- AI registerGovernment of Canada AI Register — 2526-NRCan-RNCan-010
- AI registerGovernment of Canada AI Register — 2526-NRCan-RNCan-010
- AI registerGovernment of Canada AI Register — 2526-NRCan-RNCan-010
- AI registerGovernment of Canada AI Register — 2526-NRCan-RNCan-010
- AI registerGovernment of Canada AI Register — 2526-NRCan-RNCan-010
- AI registerGovernment of Canada AI Register — 2526-NRCan-RNCan-010
- AI registerGovernment of Canada AI Register — 2526-NRCan-RNCan-010
- AI registerGovernment of Canada AI Register — 2526-NRCan-RNCan-010
- AI registerGovernment of Canada AI Register — 2526-NRCan-RNCan-010
- AI registerGovernment of Canada AI Register — 2526-NRCan-RNCan-010
- AI registerGovernment of Canada AI Register — 2526-NRCan-RNCan-010
- AI registerGovernment of Canada AI Register — 2526-NRCan-RNCan-010
- Register entryPublished by the Helpful Places. Reference e1946453. This disclosure was drafted with AI assistance.Schema: ai@2026-05-06-beta
What you can do
Ask about this system
Questions go to the Helpful Places, not the vendor.
Your rights
- Right to Algorithmic TransparencyThe system is documented in the Government of Canada's public AI Register. As an internal research tool affecting only GC employees (not members of the public), no individual right to explanation of decisions applies, but the register entry provides public transparency about the system's purpose and methods. The register notes that AI use is not disclosed to end users.
Risks and safeguards
No risks or safeguards have been published for this system yet.