CORDIS - EU research results
CORDIS

Advanced machine learning for Innovative Drug Discovery

Project description

Paving the way for machine learning in chemistry

To advance medicinal chemistry, the next generation of scientists need to possess excellent knowledge of chemistry and advanced technologies such as artificial intelligence (AI) and machine learning. The EU-funded AIDD project will work to innovate drug research by preparing a new generation of scientists who have skills in machine learning. This is an essential asset in the development of the chemical industry, including pharmaceutical, agri-biotech and other chemical companies. Fellows employed will be supervised by academics who have excellent complementary expertise, in addition to having contributed some of the fundamental AI algorithms used billions of times per day in the world, and leading EU pharma companies who are in charge of new medicine and public health.

Objective

"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."

Coordinator

HELMHOLTZ ZENTRUM MUENCHEN DEUTSCHES FORSCHUNGSZENTRUM FUER GESUNDHEIT UND UMWELT GMBH
Net EU contribution
€ 390 206,98
Address
INGOLSTADTER LANDSTRASSE 1
85764 Neuherberg
Germany

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Region
Bayern Oberbayern München, Landkreis
Activity type
Research Organisations
Links
Total cost
€ 390 206,98

Participants (16)