Objective
Nature's most advanced machinery, from enzymes to ribosomes, relies on the precise self-assembly of multiple components, where complex function emerges from a balance of dynamic covalent and non-covalent interactions. Synthetic chemistry has struggled to engineer such systems, as the fundamental design rules governing molecular recognition and self-organisation remain largely unknown. Our central hypothesis is that digital supramolecular chemistry (DISC) – combining autonomous physical measurements on an unprecedented scale with mechanistically-interpretable machine learning – will elucidate the structural drivers of molecular recognition needed to rationally design functional supramolecular systems for diverse applications, such as catalysis and sensing.
Our high-throughput experimental platform will generate rich thermodynamic data (from NMR, LC-MS, UV-Vis, and fluorescence) across diverse chemical libraries. To translate this complex data into mechanistic insight, we will build machine learning models that leverage chemically-interpretable features. This approach will move beyond prediction to reveal the robust quantitative structure-property-function relationships in supramolecular chemistry. The key objectives are to: (1) establish foundational, open-source toolkits of curated data, robust laboratory procedures, and predictive models to seed this emerging field; (2) elucidate the fundamental mechanisms governing supramolecular selectivity in dynamic covalent systems; and (3) use this new data-driven understanding to design and deliver sensors against challenging analytes.
By translating raw experimental data into fundamental, mechanistically-valid design principles, DISC will lead the necessary shift from “discovery” to “design” in synthetic and supramolecular chemistry. Our powerful methodology will enable on-demand creation of functional molecular assemblies, opening transformative opportunities in chemistry, medicine, and advanced materials.
Fields of science (EuroSciVoc)
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Keywords
Project’s keywords as indicated by the project coordinator. Not to be confused with the EuroSciVoc taxonomy (Fields of science)
Project’s keywords as indicated by the project coordinator. Not to be confused with the EuroSciVoc taxonomy (Fields of science)
Programme(s)
Multi-annual funding programmes that define the EU’s priorities for research and innovation.
Multi-annual funding programmes that define the EU’s priorities for research and innovation.
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HORIZON.1.1 - European Research Council (ERC)
MAIN PROGRAMME
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Topic(s)
Calls for proposals are divided into topics. A topic defines a specific subject or area for which applicants can submit proposals. The description of a topic comprises its specific scope and the expected impact of the funded project.
Calls for proposals are divided into topics. A topic defines a specific subject or area for which applicants can submit proposals. The description of a topic comprises its specific scope and the expected impact of the funded project.
Funding Scheme
Funding scheme (or “Type of Action”) inside a programme with common features. It specifies: the scope of what is funded; the reimbursement rate; specific evaluation criteria to qualify for funding; and the use of simplified forms of costs like lump sums.
Funding scheme (or “Type of Action”) inside a programme with common features. It specifies: the scope of what is funded; the reimbursement rate; specific evaluation criteria to qualify for funding; and the use of simplified forms of costs like lump sums.
HORIZON-ERC - HORIZON ERC Grants
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Call for proposal
Procedure for inviting applicants to submit project proposals, with the aim of receiving EU funding.
Procedure for inviting applicants to submit project proposals, with the aim of receiving EU funding.
(opens in new window) ERC-2026-STG
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Net EU financial contribution. The sum of money that the participant receives, deducted by the EU contribution to its linked third party. It considers the distribution of the EU financial contribution between direct beneficiaries of the project and other types of participants, like third-party participants.
DH1 3LE DURHAM
United Kingdom
The total costs incurred by this organisation to participate in the project, including direct and indirect costs. This amount is a subset of the overall project budget.