CORDIS provides links to public deliverables and publications of HORIZON projects.
Links to deliverables and publications from FP7 projects, as well as links to some specific result types such as dataset and software, are dynamically retrieved from OpenAIRE .
Deliverables
Publication of the first newsletter
Recruitment meeting (opens in new window)
Minutes of the recruitment meeting
Minutes of the kick-off meeting (opens in new window)Communication and public engagement activities (opens in new window)
Overview of communication and public engagement activities
SS1 school report (opens in new window)The web site and web application system is established
Advertisement of positions (opens in new window)Publications
Author(s):
Julian Cremer, Leonardo Medrano Sandonas, Alexandre Tkatchenko, Djork-Arné Clevert, Gianni De Fabritiis
Published in:
Chemical Research in Toxicology, 2023, ISSN 0893-228X
Publisher:
American Chemical Society
DOI:
10.1021/acs.chemrestox.3c00032
Author(s):
Xuesen Dong, Victor Barrios, Mariia Radaeva, Graciella Rosellinny, Qiongqiong Jia, Ning Xie, Jason Smith, Martin Gleave, Nada Lallous, Artem Cherkasov, Hanadi Ibrahim, Monica Villanueva, Suzana Straus
Published in:
Cell Death Discovery, 2025, ISSN 2058-7716
Publisher:
Nature Publishing Group
DOI:
10.21203/rs.3.rs-4644460/v1
Author(s):
Andrea Hunklinger, Peter Hartog, Martin Šícho, Guillaume Godin, Igor V. Tetko
Published in:
SLAS Discovery, Issue 29, 2024, Page(s) 100144, ISSN 2472-5552
Publisher:
Elsevier BV
DOI:
10.1016/j.slasd.2024.01.005
Author(s):
Emma Svensson, Pieter-Jan Hoedt, Sepp Hochreiter, Günter Klambauer
Published in:
Journal of Chemical Information and Modeling, Issue 64, 2024, Page(s) 2539-2553, ISSN 1549-9596
Publisher:
American Chemical Society
DOI:
10.1021/acs.jcim.3c01417
Author(s):
Peter B. R. Hartog, Fabian Krüger, Samuel Genheden, Igor V. Tetko
Published in:
Journal of Cheminformatics, 2024, ISSN 1758-2946
Publisher:
Chemistry Central
DOI:
10.26434/chemrxiv-2024-kdx3g
Author(s):
Matthieu Sarkis, Alessio Fallani, Alexandre Tkatchenko
Published in:
Physical Review Research, Issue 5, 2023, ISSN 2643-1564
Publisher:
American Physical Society (APS)
DOI:
10.1103/physrevresearch.5.043072
Author(s):
Alessio Fallani, Ramil Nugmanov, Jose Arjona-Medina, Jörg Kurt Wegner, Alexandre Tkatchenko, Kostiantyn Chernichenko
Published in:
Journal of Cheminformatics, Issue 17, 2025, ISSN 1758-2946
Publisher:
Chemistry Central
DOI:
10.1186/s13321-025-00970-0
Author(s):
Andrius Bernatavicius, Martin Šícho, Antonius P. A. Janssen, Alan Kai Hassen, Mike Preuss, Gerard J. P. van Westen
Published in:
Journal of Chemical Information and Modeling, Issue 64, 2024, Page(s) 8113-8122, ISSN 1549-9596
Publisher:
American Chemical Society
DOI:
10.1021/acs.jcim.4c00309
Author(s):
Peter B.R. Hartog, Annie M. Westerlund, Igor V. Tetko, Samuel Genheden
Published in:
Journal of Chemical Information and Modeling, 2024, ISSN 1549-9596
Publisher:
American Chemical Society
DOI:
10.26434/chemrxiv-2024-q2v87
Author(s):
Kim, PT., Winter, R., Clevert, DA.
Published in:
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES, 2021, ISSN 1422-0067
Publisher:
Multidisciplinary Digital Publishing Institute (MDPI)
Author(s):
Paula Torren-Peraire, Jonas Verhoeven, Dorota Herman, Hugo Ceulemans, Igor V. Tetko, Jörg K. Wegner
Published in:
Journal of Cheminformatics, Issue 17, 2025, ISSN 1758-2946
Publisher:
Chemistry Central
DOI:
10.1186/s13321-025-00953-1
Author(s):
Radaeva, M., Ban, F., Zhang, F., LeBlanc, E., Lallous, N., Rennie, P.S., Gleave, M.E., Cherkasov, A.
Published in:
Int. J. Mol. Sci., 2021, Page(s) 2493, ISSN 1422-0067
Publisher:
Multidisciplinary Digital Publishing Institute (MDPI)
DOI:
10.3390/ijms22052493
Author(s):
Clevert, DA., Le, T., Winter, R., Montanari, F.
Published in:
CHEMICAL SCIENCE, 2021, ISSN 2041-6520
Publisher:
Royal Society of Chemistry
DOI:
10.1039/d1sc01839f
Author(s):
Alan Kai Hassen, Martin Šícho, Yorick J. van Aalst, Mirjam C. W. Huizenga, Darcy N. R. Reynolds, Sohvi Luukkonen, Andrius Bernatavicius, Djork-Arné Clevert, Antonius P. A. Janssen, Gerard J. P. van Westen, Mike Preuss
Published in:
Journal of Cheminformatics, Issue 17, 2025, ISSN 1758-2946
Publisher:
Chemistry Central
DOI:
10.1186/s13321-024-00910-4
Author(s):
Vall, A., Sabnis, Y., Shi, J., Class, R., Hochreiter, S., Klambauer, G.
Published in:
Front. Artif. Intell., 2021, ISSN 0922-6389
Publisher:
IOS Press
DOI:
10.3389/frai.2021.638410
Author(s):
Emma Rydholm, Tomas Bastys, Emma Svensson, Christos Kannas, Ola Engkvist, Thierry Kogej
Published in:
Digital Discovery, Issue 3, 2024, Page(s) 1378-1388, ISSN 2635-098X
Publisher:
Royal Society of Chemistry (RSC)
DOI:
10.1039/d3dd00230f
Author(s):
Ana Sanchez-Fernandez, Elisabeth Rumetshofer, Sepp Hochreiter, Günter Klambauer
Published in:
Nature Communications, Issue 14, 2023, ISSN 2041-1723
Publisher:
Nature Publishing Group
DOI:
10.1038/s41467-023-42328-w
Author(s):
Vincenzo Palmacci, Steffen Hirte, Jorge Enrique Hernández González, Floriane Montanari, Johannes Kirchmair
Published in:
Artificial Intelligence in the Life Sciences, Issue 5, 2024, Page(s) 100099, ISSN 2667-3185
Publisher:
Elsevier BV
DOI:
10.1016/j.ailsci.2024.100099
Author(s):
Helen Lai, Christos Kannas, Alan Kai Hassen, Emma Granqvist, Annie M. Westerlund, Djork-Arné Clevert, Mike Preuss, Samuel Genheden
Published in:
Artificial Intelligence in the Life Sciences, Issue 7, 2025, Page(s) 100130, ISSN 2667-3185
Publisher:
Elsevier BV
DOI:
10.1016/j.ailsci.2025.100130
Author(s):
Muhammad Arslan Masood, Samuel Kaski, Tianyu Cui
Published in:
Journal of Cheminformatics, Issue 17, 2025, ISSN 1758-2946
Publisher:
Chemistry Central
DOI:
10.1186/s13321-025-00986-6
Author(s):
Leonardo Medrano Sandonas, Dries Van Rompaey, Alessio Fallani, Mathias Hilfiker, David Hahn, Laura Perez-Benito, Jonas Verhoeven, Gary Tresadern, Joerg Kurt Wegner, Hugo Ceulemans, Alexandre Tkatchenko
Published in:
Scientific Data, Issue 11, 2024, ISSN 2052-4463
Publisher:
Springer Science and Business Media LLC
DOI:
10.1038/s41597-024-03521-8
Author(s):
Alessio Fallani, Leonardo Medrano Sandonas, Alexandre Tkatchenko
Published in:
Nature Communications, Issue 15, 2024, ISSN 2041-1723
Publisher:
Nature Publishing Group
DOI:
10.1038/s41467-024-50401-1
Author(s):
Roland, T., Bock, C., Tschoellitsch, T., Maletzky, A., Hochreiter, S., Meier, J., Klambauer, G.
Published in:
JOURNAL OF MEDICAL SYSTEMS, 2022, ISSN 0148-5598
Publisher:
Kluwer Academic/Plenum Publishers
DOI:
10.1007/s10916-022-01807-1
Author(s):
Paula Torren-Peraire, Alan Kai Hassen, Samuel Genheden, Jonas Verhoeven, Djork-Arné Clevert, Mike Preuss, Igor V. Tetko
Published in:
Digital Discovery, Issue 3, 2024, Page(s) 558-572, ISSN 2635-098X
Publisher:
Royal Society of Chemistry (RSC)
DOI:
10.1039/d3dd00252g
Author(s):
Adriana Borowa, Dawid Rymarczyk, Marek Żyła, Maciej Kańduła, Ana Sánchez-Fernández, Krzysztof Rataj, Łukasz Struski, Jacek Tabor, Bartosz Zieliński
Published in:
Computational and Structural Biotechnology Journal, Issue 23, 2025, Page(s) 1181-1188, ISSN 2001-0370
Publisher:
Elsevier BV
DOI:
10.1016/j.csbj.2024.02.022
Author(s):
Kratzert, F., Klotz, D., Hochreiter, S., Nearing, GS.
Published in:
HYDROLOGY AND EARTH SYSTEM SCIENCES, 2021, ISSN 1027-5606
Publisher:
European Geophysical Society
DOI:
10.5194/hess-25-2685-2021
Author(s):
Mikhail Andronov, Natalia Andronova, Michael Wand, Jürgen Schmidhuber, Djork-Arné Clevert
Published in:
Journal of Cheminformatics, Issue 17, 2025, ISSN 1758-2946
Publisher:
Chemistry Central
DOI:
10.1186/s13321-025-00974-w
Author(s):
Varvara Voinarovska, Mikhail Kabeshov, Dmytro Dudenko, Samuel Genheden, Igor V. Tetko
Published in:
Journal of Chemical Information and Modeling, Issue 64, 2024, Page(s) 42-56, ISSN 1549-9596
Publisher:
American Chemical Society
DOI:
10.1021/acs.jcim.3c01524
Author(s):
Janosch Menke, Yasmine Nahal, Esben Jannik Bjerrum, Mikhail Kabeshov, Samuel Kaski, Ola Engkvist
Published in:
Journal of Cheminformatics, Issue 16, 2024, ISSN 1758-2946
Publisher:
Chemistry Central
DOI:
10.1186/s13321-024-00892-3
Author(s):
Tuan Le, Julian Cremer, Djork-Arné Clevert, Kristof T. Schütt
Published in:
Journal of Cheminformatics, Issue 17, 2025, ISSN 1758-2946
Publisher:
Chemistry Central
DOI:
10.1186/s13321-025-01028-x
Author(s):
Son V. Ha, Steffen Jaensch, Lorena G. A. Freitas, Dorota Herman, Paul Czodrowski, Hugo Ceulemans
Published in:
Scientific Reports, 2024, ISSN 2045-2322
Publisher:
Nature Publishing Group
DOI:
10.21203/rs.3.rs-4466969/v1
Author(s):
Gauch, M., Kratzert, F., Klotz, D., Nearing, G., Lin, J., Hochreiter, S.
Published in:
HYDROLOGY AND EARTH SYSTEM SCIENCES, 2021, ISSN 1027-5606
Publisher:
European Geophysical Society
DOI:
10.5194/hess-25-2045-2021
Author(s):
Andronov, M., Voinarovska, V., Andronova, N., Wand, M., Clevert, D.-A., Schmidhuber, J.
Published in:
Chemical Science, 2023, ISSN 2573-2293
Publisher:
Royal Society of Chemistry
DOI:
10.1039/d2sc06798f
Author(s):
Son V. Ha, Lucas Leuschner, Paul Czodrowski
Published in:
Digital Discovery, Issue 3, 2024, Page(s) 719-727, ISSN 2635-098X
Publisher:
Royal Society of Chemistry (RSC)
DOI:
10.1039/d3dd00205e
Author(s):
Emma Svensson, Hannah Rosa Friesacher, Susanne Winiwarter, Lewis Mervin, Adam Arany, Ola Engkvist
Published in:
Artificial Intelligence in the Life Sciences, Issue 7, 2025, Page(s) 100128, ISSN 2667-3185
Publisher:
Elsevier BV
DOI:
10.1016/j.ailsci.2025.100128
Author(s):
Hannah Rosa Friesacher, Ola Engkvist, Lewis Mervin, Yves Moreau, Adam Arany
Published in:
Journal of Cheminformatics, Issue 17, 2025, ISSN 1758-2946
Publisher:
Chemistry Central
DOI:
10.1186/s13321-025-00964-y
Author(s):
Vincenzo Palmacci, Yasmine Nahal, Matthias Welsch, Ola Engkvist, Samuel Kaski, Johannes Kirchmair
Published in:
Journal of Cheminformatics, Issue 17, 2025, ISSN 1758-2946
Publisher:
Chemistry Central
DOI:
10.1186/s13321-025-01014-3
Author(s):
Lakshidaa Saigiridharan, Alan Kai Hassen, Helen Lai, Paula Torren-Peraire, Ola Engkvist, Samuel Genheden
Published in:
Journal of Cheminformatics, Issue 16, 2024, ISSN 1758-2946
Publisher:
Chemistry Central
DOI:
10.1186/s13321-024-00860-x
Author(s):
Klotz, D., Kratzert, F., Gauch, M., Sampson, AK., Brandstetter, J., Klambauer, G., Hochreiter, S., Nearing, G.
Published in:
HYDROLOGY AND EARTH SYSTEM SCIENCES, 2022, ISSN 1027-5606
Publisher:
European Geophysical Society
DOI:
10.5194/hess-26-1673-2022
Author(s):
Yasmine Nahal, Janosch Menke, Julien Martinelli, Markus Heinonen, Mikhail Kabeshov, Jon Paul Janet, Eva Nittinger, Ola Engkvist, Samuel Kaski
Published in:
Journal of Cheminformatics, Issue 16, 2024, ISSN 1758-2946
Publisher:
Chemistry Central
DOI:
10.1186/s13321-024-00924-y
Author(s):
Julian Cremer, Tuan Le, Frank Noé, Djork-Arné Clevert, Kristof T. Schütt
Published in:
Chemical Science, Issue 15, 2024, Page(s) 14954-14967, ISSN 2041-6520
Publisher:
Royal Society of Chemistry
DOI:
10.1039/d4sc03523b
Author(s):
Alan Kai Hassen, Paula Torren-Peraire, Samuel Genheden, Jonas Verhoeven, Mike Preuss, Igor V. Tetko
Published in:
NeurIPS 2022 Workshop AI4Science, 2022
Publisher:
OpenReview.net
Author(s):
Svensson, E., Hoedt, P.-J., Hochreiter, S., Klambauer, G.
Published in:
36th Conference on Neural Information Processing Systems (NeurIPS 2022), 2022
Publisher:
NeurIPS 2022
DOI:
10.5281/zenodo.8138500
Author(s):
Muhammad Arslan Masood, Markus Heinonen, Samuel Kaski
Published in:
ICLR 2025 Workshop LMRL, 2025
Publisher:
OpenReview.net
DOI:
10.5281/zenodo.15484224
Author(s):
Tuan Le, Julian Cremer, Frank Noé, Djork-Arné Clevert, Kristof Schütt
Published in:
ICLR 2024, 2024
Publisher:
arXiv
DOI:
10.48550/arxiv.2309.17296
Author(s):
Sanchez-Fernandez, A., Rumetshofer, E., Hochreiter, S., Klambauer, G.
Published in:
International Conference on Learning Representations, 2022
Publisher:
MLDD workshop, ICLR 2022
DOI:
10.5281/zenodo.8137823
Author(s):
Hoedt, PJ., Kratzert, F., Klotz, D., Halmich, C., Holzleitner, M., Nearing, G., Hochreiter, S., Klambauer, G.
Published in:
INTERNATIONAL CONFERENCE ON MACHINE LEARNING, 2021, ISSN 2640-3498
Publisher:
Cambridge MA: JMLR
DOI:
10.5281/zenodo.8138359
Author(s):
Simm, J., Arany, A., De Brouwer, E., Moreau, Y.
Published in:
MACHINE LEARNING, OPTIMIZATION, AND DATA SCIENCE (LOD 2021), PT II, Book Series Title: Lecture Notes in Computer Science, 2022, ISSN 0302-9743
Publisher:
Springer Verlag
DOI:
10.1007/978-3-030-95470-3_15
Author(s):
Mikhail Andronov, Natalia Andronova, Michael Wand, Jürgen Schmidhuber, Djork-Arné Clevert
Published in:
arXiv preprint, 2024
Publisher:
ChemRxiv
DOI:
10.26434/chemrxiv-2024-q9tc4
Author(s):
Sarkis, M., Fallani, A.,Tkatchenko, A.
Published in:
2023
Publisher:
arXiv
DOI:
10.48550/arxiv.2306.08544
Author(s):
Thierry Kogej, Emma Svensson, Emma Rydholm, Tomas Bastys, Christos Kannas, Mikhail Kabeshov, Samuel Genheden, Ola Engkvist
Published in:
Chemrxiv, Issue Chemrxiv, 2024
Publisher:
ChemRxiv
DOI:
10.26434/chemrxiv-2024-h4qlt
Author(s):
Hannah Rosa Friesacher, Emma Svensson, Susanne Winiwarter, Lewis Mervin, Adam Arany, Ola Engkvist
Published in:
arXiv preprint, 2025
Publisher:
arXiv
DOI:
10.48550/arxiv.2502.03982
Author(s):
Kopp, A., Hartog, P., Šícho, M., Godin, G., Tetko, I.V.
Published in:
2023
Publisher:
ChemRxiv
DOI:
10.26434/chemrxiv-2023-p8qcv
Author(s):
Cremer, J., Medrano Sandonas, L., Tkatchenko, A., Clevert, D.A., De Fabritiis, G.
Published in:
2023, ISSN 2573-2293
Publisher:
ChemRxiv
DOI:
10.26434/chemrxiv-2023-9kb55
Author(s):
Hannah Rosa Friesacher, Emma Svensson, Adam Arany, Lewis Mervin, Ola Engkvist
Published in:
Lecture Notes in Computer Science, AI in Drug Discovery, 2024, Page(s) 13-20
Publisher:
Springer Nature Switzerland
DOI:
10.1007/978-3-031-72381-0_2
Author(s):
Julian Cremer, Tuan Le, Djork-Arné Clevert, Kristof T. Schütt
Published in:
Lecture Notes in Computer Science, AI in Drug Discovery, 2024, Page(s) 36-46
Publisher:
Springer Nature Switzerland
DOI:
10.1007/978-3-031-72381-0_4
Author(s):
Alessio Fallani, José Arjona-Medina, Konstantin Chernichenko, Ramil Nugmanov, Jörg Kurt Wegner, Alexandre Tkatchenko
Published in:
Lecture Notes in Computer Science, AI in Drug Discovery, 2024, Page(s) 71-81
Publisher:
Springer Nature Switzerland
DOI:
10.1007/978-3-031-72381-0_7
Author(s):
Yasmine Nahal, Markus Heinonen, Mikhail Kabeshov, Jon Paul Janet, Eva Nittinger, Ola Engkvist, Samuel Kaski
Published in:
Lecture Notes in Computer Science, AI in Drug Discovery, 2024, Page(s) 58-70
Publisher:
Springer Nature Switzerland
DOI:
10.1007/978-3-031-72381-0_6
Author(s):
Muhammad Arslan Masood, Samuel Kaski, Hugo Ceulemans, Dorota Herman, Markus Heinonen
Published in:
Lecture Notes in Computer Science, AI in Drug Discovery, 2024, Page(s) 82-97
Publisher:
Springer Nature Switzerland
DOI:
10.1007/978-3-031-72381-0_8
Author(s):
Mikhail Andronov, Natalia Andronova, Michael Wand, Jürgen Schmidhuber, Djork-Arné Clevert
Published in:
Lecture Notes in Computer Science, AI in Drug Discovery, 2024, Page(s) 21-35
Publisher:
Springer Nature Switzerland
DOI:
10.1007/978-3-031-72381-0_3
Author(s):
Emma Svensson, Hannah Rosa Friesacher, Adam Arany, Lewis Mervin, Ola Engkvist
Published in:
Lecture Notes in Computer Science, AI in Drug Discovery, 2024, Page(s) 132-148
Publisher:
Springer Nature Switzerland
DOI:
10.1007/978-3-031-72381-0_11
Author(s):
Mathias Hilfiker, Leonardo Medrano Sandonas, Marco Klähn, Ola Engkvist, Alexandre Tkatchenko
Published in:
Lecture Notes in Computer Science, AI in Drug Discovery, 2024, Page(s) 47-57
Publisher:
Springer Nature Switzerland
DOI:
10.1007/978-3-031-72381-0_5
Author(s):
Peter B. R. Hartog, Emma Svensson, Lewis Mervin, Samuel Genheden, Ola Engkvist, Igor V. Tetko
Published in:
Lecture Notes in Computer Science, AI in Drug Discovery, 2024, Page(s) 98-115
Publisher:
Springer Nature Switzerland
DOI:
10.1007/978-3-031-72381-0_9
Author(s):
Muhammad Arslan Masood, Tianyu Cui, Samuel Kaski
Published in:
Lecture Notes in Computer Science, AI in Drug Discovery, 2024, Page(s) 149-159
Publisher:
Springer Nature Switzerland
DOI:
10.1007/978-3-031-72381-0_12
Author(s):
Peter Bart Rudolf Hartog
Published in:
Doctoral thesis, 2025
Publisher:
TUM School of Life Sciences
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