Human-steered next-generation machine learning for reviving drug design (HEALED)

  • Kaski, Samuel (Principal investigator)
  • Martinelli, Julien (Project Member)
  • Naumov, Anton (Project Member)
  • Zhang, Xinyu (Project Member)

Project Details

Description

The aim of this project is to develop machine learning methods that enable reviving drug development, which has currently been significantly slowed down due to a huge increase of development cost. We develop new methods, with which drug design can take into account both the enlarging measurement databases and expertise of the drug developers. The methods will be general-purpose, and will be taken into use widely in other fields as well, in the Finnish Center for Artificial Intelligence FCAI where the research will be carried out.
AcronymHEALED/Kaski S.
StatusActive
Effective start/end date01/09/202131/08/2025

Collaborative partners

UN Sustainable Development Goals

In 2015, UN member states agreed to 17 global Sustainable Development Goals (SDGs) to end poverty, protect the planet and ensure prosperity for all. This project contributes towards the following SDG(s):

  • SDG 8 - Decent Work and Economic Growth

Fingerprint

Explore the research topics touched on by this project. These labels are generated based on the underlying awards/grants. Together they form a unique fingerprint.
  • Multi-Fidelity Bayesian Optimization with Unreliable Information Sources

    Mikkola, P., Martinelli, J., Filstroff, L. & Kaski, S., 25 Apr 2023, Proceedings of the 26th International Conference on Artificial Intelligence and Statistics . JMLR, p. 7425-7454 (Proceedings of Machine Learning Research; vol. 206).

    Research output: Chapter in Book/Report/Conference proceedingConference article in proceedingsScientificpeer-review

    Open Access
    File
    13 Downloads (Pure)
  • Zero-Shot Assistance in Sequential Decision Problems

    De Peuter, S. & Kaski, S., 27 Jun 2023, AAAI-23 Technical Tracks 10 . Williams, B., Chen, Y. & Neville, J. (eds.). AAAI Press, p. 11551-11559 9 p. (Proceedings of the 37th AAAI Conference on Artificial Intelligence, AAAI 2023; vol. 37, no. 10).

    Research output: Chapter in Book/Report/Conference proceedingConference article in proceedingsScientificpeer-review

    Open Access
  • Human-in-the-loop assisted de novo molecular design

    Sundin, I., Voronov, A., Xiao, H., Papadopoulos, K., Bjerrum, E. J., Heinonen, M., Patronov, A., Kaski, S. & Engkvist, O., Dec 2022, In: JOURNAL OF CHEMINFORMATICS. 14, 1, p. 1-16 16 p., 86.

    Research output: Contribution to journalArticleScientificpeer-review

    Open Access
    File
    4 Citations (Scopus)
    67 Downloads (Pure)