AI in Drug Discovery and Biomedicine

31 Mar 25

- 2 Apr 25

Artificial intelligence (AI) has the potential to transform drug discovery, as it is reshaping other areas of science and technology. However, to exploit its full potential, we need to incorporate both biology and chemistry, and format it in a way that is amenable for modern machine learning. This BioMed conference will explore potential strategies to bridge the gap between biological big data, drug screening experiments and state-of-the-art generative AI tools. We will also discuss how generative AI can be used to explore the uncharted chemical space and to design of new chemical compounds (NCEs) with specific pharmacological properties. Indeed, deep learning strategies have successfully designed NCEs with desired anticancer activities or new antibiotic scaffolds, and 15 ML-designed drugs are already in clinical trials. The final goal of this BioMed conference is to pave the way of the transition from precision to personalized medicine where, instead of looking for the most suitable approved drug to treat a patient, we will design specific drugs for each molecular profile.

Poster_Biomed Conference_AI in drug discovery and biomedicine

Presentation

Conference organizers

Dr. Patrick Aloy
IRB Barcelona/ICREA
Barcelona, Spain

Dr. Trey Ideker
UC San Diego
La Jolla, CA, USA

There is no registration fee for this conference, but the number of participants is limited, with a number of seats saved for IRB Barcelona alumni. Previous registration is required.

Priority will be given to those who submit the highest quality abstracts for short talks or posters and the order of registration will be considered.

Abstracts should include a title, authors, affiliations, summary (max 250 words) and references

Important dates

REGISTRATION DEADLINE: 10 FEBRUARY, 2025

(Note: Any issue about the registration or abstract, please contact: meritxell.gavalda@irbbarcelona.org)

Poster_Biomed Conference_AI in drug discovery and biomedicine.pdf (1.25 MB)

Programme

Monday, 31 March

8.30 Registration

9.00 Welcome by Dr. Francesc Posas (IRB Barcelona, Director)
and organizers (Dr. Patrick Aloy and Dr. Trey Ideker)

Session I: Foundational models in biomedicine

9.15 Dr. Fabian J. Theis, TUM (Munich, Germany)

9.55 Short talk 1

10.10 Dr. Charlotte Bunne, EPFL (Lausanne, Switzerland)

10.50 -11.30 Coffee break and poster session

11.30 Dr. Bo Wang, University of Toronto (Toronto, ON, CA)

12.10 Dr. Marinka Zitnik, Harvard Medical School (Boston, MA, USA)

12.50 -14.00 Lunch and poster session

Session II: Explainable AI in biomedicine

14.00 Dr. Trey Ideker, UC San Diego (La Jolla, CA, USA)

14.40 Dr. Fátima Al-Shahrour, CNIO (Madrid, Spain)

15.20 – 16.00 Coffee break and poster session

16.00 Dr. Julia Amann, Careum Foundation (Zurich, Switzerland)

16.40 Dr. Julio Saez-Rodriguez, EMBL-EBI (Hinxton, UK)

17.20 End of session

18:00 Speakers visit to the Sagrada Família

Tuesday, 1 April

Session III: AI in target identification, design and characterization

9.00 Dr. Bruno Correia, EPFL (Lausanne, Switzerland)

9.40 Short talk 2

9:55 Dr. Victor Guallar, BSC/ ICREA (Barcelona, Spain)

10.35 - 11.20 Coffee break and poster session

11.20 Dr. Noelia Ferruz, CRG (Barcelona, Spain)

12.00 Dr. Patrick Aloy, IRB Barcelona/ICREA (Barcelona, Spain)

12.40 Dr. Ellen D. Zhong, Princeton University (Princeton, NJ, USA)

13:20-14.30 Lunch and poster session

Session IV: Generative AI for de novo drug design

14.30 Dr. Ola Engkvist, AstraZeneca (Stockholm, Sweden)

15.10 Short talk 3

15.25 Dr. Francesca Grisoni, Eindhoven University of Technology (Eindhoven, The
Netherlands)

16.05- 16.45 Coffee break and poster session

16.45 Dr. Rocío Mercado, Chalmers (Gothenburg, Sweden)

17:25 Short talk 4

17.40 Dr. Jonathan Stokes, McMaster University (Hamilton, ON, Canada)

18.20 End of session

19.00 Speakers dinner (wine tasting at Celler Alta Alella)

Wednesday, 2 April

Session V: AI beyond computers

9.00 Dr. Alex Aliper, Insilico Medicine (Abu Dhabi, United Arab Emirates)

9.40 Short talk 5

9.55 Open Source AI for Antimicrobial Drug Discovery: Beyond Growth Inhibition and Target Prediction
Dr. Miquel Duran-Frigola, Fundació Ersilia Open Source Initiative (Barcelona, Spain)

10.35 -11.20 Coffee break and poster session

11.20 Dr. Lee Cronin, University of Glasgow (Glasgow, UK)

12.00 Dr. Eytan Ruppin, NCI (Bethesda, MD, USA)

12.40 Concluding remarks and end of conference

Venue

The BARCELONA BIOMED CONFERENCE AI In Drug Discovery and Biomedicine will be placed at the Casa Convalescència in the heart of Barcelona. Talks will take place in the Aula Magna.

Casa Convalescència
C/ Sant Antoni Maria Claret, 171
08041 Barcelona

Tel +34 934 335 000
https://www.uab.cat/casa-convalescencia/

How to reach the Casa Convalescència:

Underground
Yellow line (L4) - GUINARDÓ – HOSPITAL DE SANT PAU station
Blue line (L5) - SANT PAU – DOS DE MAIG station

By bus
Lines: 15, 19, 20, 45, 47, 50, 51, 92 and 192.

For the GPS
Introduce the following coordinates:
Latitude: 41.413702 (41° 24' 49.33'' N)
Longitude: 2.177482 (2° 10' 38.94'' E)

From the airport

* Train + Underground. At the RENFE station, take the train to Sants-Estació. Once there take the Underground's blue line (L5) till SANT PAU – DOS DE MAIG station.
* Bus + Underground. Outside the airport terminal, take the AEROBUS to Plaça Catalunya. Walk one corner till Plaça Urquinaona and take the Underground's yellow line (L4) to GUINARDÓ – HOSPITAL DE SANT PAU station.

Barcelona Metropolitan Transport webiste (with metro and bus maps)

Accomodation

Speakers will be lodged at the Hotel ILUNION Bel Art
Lepant, 406
08025 Barcelona
Telephone: +34 934335440

Other hotels
A list of additional hotels within walking distance of the Casa Convalescència can be found at: https://www.barcelona-tourist-guide.com/en/hotels/hotelmaps/eixample-right-barcelona-hotel.html
(The Casa Convalescència is located near the violet point 27/3 star). Rates will vary depending on choice of hotel and season. Please check with the hotel of your choice directly for the best offer.

Residences
Another possibility is the Lesseps Residence Hall, and is available for short-term stays.

Lesseps Residence Hall
Plaza Lesseps, 12 08023 Barcelona
View on map
Telephone: +34 933 941 600
e-mail: lesseps@resa.es
www.resa.es/en/city/barcelona

Participants registered for events in the Barcelona BioMed series should contact the hotels and residences directly to arrange bookings and payment.