Project description
Organic chemistry with machine learning
Organic chemistry often relies on trial-and-error methods, slowing progress in developing efficient synthetic strategies. Supported by the Marie Skłodowska-Curie Actions programme, the Cyb-org project aims to revolutionise this process by applying machine learning (ML) to optimise reaction protocols. A robotic platform will set up and sample reactions, collecting data on reaction rates, yields, and enantioselectivity. By developing statistical models, the project seeks to uncover mechanistic insights that can apply across various substrates and catalysts. This tool will not only enhance reaction efficiency but also identify outliers, potentially revealing novel reactivity. With potential applications in the pharmaceutical and fine chemical industries, Cyb-org promises to transform the way organic chemistry is optimised and scaled.
Objective
Cyb-org aims to apply well-established machine learning (ML) techniques to innovate mechanistic studies and optimization protocols in organic chemistry. Within this project, a robotic platform will be programmed to autonomously set up and sample reactions for kinetic analysis, extracting data on reaction rates, yields, and enantioselectivity. The primary goal of this proposal is to develop statistical models capable of generalizing mechanistic insights across a range of substrates or catalyst variables, focusing on the selected organic transformations. The new model will generate predicted outputs, which can subsequently be experimentally validated to achieve enhanced performance. Identifying outliers within this data will allow for the analysis of atypical reactions, potentially leading to the discovery of novel reactivity and the development of new, significant synthetic strategies. This advanced ML tool could be adopted by the pharmaceutical and fine chemical industries, enhancing automated systems for optimizing organic chemical transformations.
Fields of science (EuroSciVoc)
CORDIS classifies projects with EuroSciVoc, a multilingual taxonomy of fields of science, through a semi-automatic process based on NLP techniques. See: The European Science Vocabulary.
CORDIS classifies projects with EuroSciVoc, a multilingual taxonomy of fields of science, through a semi-automatic process based on NLP techniques. See: The European Science Vocabulary.
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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.1.2 - Marie Skłodowska-Curie Actions (MSCA)
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-TMA-MSCA-PF-GF - HORIZON TMA MSCA Postdoctoral Fellowships - Global Fellowships
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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) HORIZON-MSCA-2024-PF-01
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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.
17004 Girona
Spain
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.