Projet AIDD (Horizon 2020, appel à projets 2020)
Action : Doctoral Networks - Industrial Doctorates
Panel : Chemistry
Statut du projet : SIGNED

The dramatic increase in using of Artificial Intelligence (AI) and machine learning methods in different fields of science becomes an essential asset in the development of the chemical industry, including pharmaceutical, agro biotech, and other chemical companies. However, the application of AI in these fields is not straightforward and requires excellent knowledge of chemistry. Thus, there is a strong need to train and prepare a new generation of scientists who have skills both in machine learning and in chemistry and can advance medicinal chemistry, which is the prime goal of the AIDD proposal. Research WPs include sixteen topics selected to cover the key innovative directions in machine learning in chemistry. Fellows employed will be supervised by academics who have excellent complementary expertise and contributed some of the fundamental AI algorithms which are used billions of times per day in the world, and leading EU Pharma companies who are in charge of new medicine and public health. All developed methods can be used individually but will also contribute to an integrated "One Chemistry" model that can predict outcomes ranging from different properties to molecule generation and synthesis. Training on various modalities allows the model to understand how to intertwine chemistry and biology to develop a new drug making its design robust and explainable. All partners agreed to make their software open source. It will boost the field and will provide the broadest possible dissemination of the results both to the academy and industry, including SMEs. The network will offer comprehensive, structured training through a well-elaborated Curriculum, online courses, and six Schools. The IP policy and commercial exploitation of the project results have the highest priority supported by intellectual property asset management organizations. Comprehensive public engagement activities will complement the dissemination of results to the scientific community.

Mots clés : explainable ai, generative models, chemical reactions, deep learning, lstm, prostate cancer, microscopy images, phenotypic screening, yield prediction, quantum machine learning, boltzmann generators

Participants :
- Pompeu Fabra University (Espagne) — Partner, beneficiary, Enseignement supérieur ou secondaire, subvention : 125452.44 €
- Pfizer (Germany) (Allemagne) — Partner, beneficiary, Organismes privés (hors enseignement), subvention : 379182.6 €
- Bayer (Germany) (Allemagne) — Partner, beneficiary, Organismes privés (hors enseignement), subvention : 126394.2 €
- University of Applied Sciences and Arts of Southern Switzerland (Suisse) — Partner, beneficiary, Enseignement supérieur ou secondaire, subvention : 140638.32 €
- University of Vienna (Autriche) — Partner, beneficiary, Enseignement supérieur ou secondaire, subvention : 132103.62 €
- Helmholtz Zentrum München (Allemagne) — Coordinator, beneficiary, Recherche, subvention : 390206.98 €
- AstraZeneca (Sweden) (Suède) — Partner, beneficiary, Organismes privés (hors enseignement), subvention : 790492.23 €
- Johannes Kepler University of Linz (Autriche) — Partner, beneficiary, Enseignement supérieur ou secondaire, subvention : 264207.24 €
- TU Dortmund University (Allemagne) — Partner, beneficiary, Enseignement supérieur ou secondaire, subvention : 35109.5 €
- Enamine (Ukraine) (Ukraine) — Partner, beneficiary, Organismes privés (hors enseignement), subvention : 0.0 €
- KU Leuven (Belgique) — Partner, beneficiary, Enseignement supérieur ou secondaire, subvention : 128160.0 €
- Freie Universität Berlin (Allemagne) — Partner, beneficiary, Enseignement supérieur ou secondaire, subvention : 66005.86 €
- Aalto University (Finlande) — Partner, beneficiary, Enseignement supérieur ou secondaire, subvention : 280805.76 €
- Janssen (Belgium) (Belgique) — Partner, beneficiary, Organismes privés (hors enseignement), subvention : 640800.0 €
- Johannes Gutenberg University Mainz (Allemagne) — Partner, beneficiary, Enseignement supérieur ou secondaire, subvention : 91284.7 €
- Leiden University (Pays-Bas) — Partner, beneficiary, Enseignement supérieur ou secondaire, subvention : 132809.94 €
- University of Luxembourg (Luxembourg) — Partner, beneficiary, Enseignement supérieur ou secondaire, subvention : 202920.0 €