Deliverables Other (7) Public-consortium prototyping platform for public data (year 3) Publicconsortium prototyping platform for public data Final release of structure processing script Final release of structure processing script, one version for each run (M7, 19, 29) Prototype of based test-train fold splitting algorithm (year 3) Prototype of based testtrain fold splitting algorithm ready for integration in WP4 ML software One for prototype for 2nd and 3rd federated run each Prototype of based test-train fold splitting algorithm Prototype of based test-train fold splitting algorithm ready for integration in WP4 ML software. One for prototype for 2nd and 3rd federated run each (M18, 29) Final release of structure processing script (year 3) Final release of structure processing script one version for each run Locality-sensitive hashing based test-train fold splitting code deployed at the pharma partners Locality-sensitive hashing based test-train fold splitting code deployed at the pharma partners Final release of structure processing script (year 2) Final release of structure processing script, one version for each run Documents, reports (24) Publications of key scientific findings from the Project Publications of key scientific findings from the Project and collation of all publications and other communication modalities M2436 Comprehensive technical documentation (year 3) Comprehensive technical documentation updated version each year Documentation material of the version 3 Documentation material of the version 3 v3 of the platform and platform prerelease for audit by WP5 Data preparation manual (year 3) Data preparation manual one version for each run Report on aggregate performance metrics for top hits and information gain (year 3) Report on aggregate performance metrics for top hits and information gain Documentation material including articles and use case description (draft) Documentation material including articles and use case description draft and final version M30 36 Risk and Data Management Plan (year 3) Risk and Data Management Plan; updates Documentation material of the version 1 Documentation material of the version 1 (v1) of the platform, and platform pre-release for audit by WP5 Report on federated learning schemes (year 3) Report on federated learning schemes Risk and Data Management Plan (year 2) Risk and Data Management Plan; updates Report on central infrastructure setup Report on central infrastructure setup including central services (container registries, CI/CD pipelines, GPU acceleration, and partner cluster networking) Risk Management Plan Risk Management Plan; updates (M3, 12, 24) Report on model accuracy and applicability domain metrics (year 3) Report on model accuracy metrics first year and model accuracy and applicability domain metrics second and third year Initial Project communication plan and toolset (year 2) Initial Project communication plan and toolset; updates Report on aggregated metrics for yearly run (year 3) Report on aggregated metrics for yearly run Data preparation manual Data preparation manual one version for each run M6 18 29 Data Management Plan Data Management Plan; updates (M3, 12, 24) Data preparation manual (year 2) Data preparation manual one version for each run Report on computational strategies for meta-optimization and advanced hyperparameter tuning (year 3) Report on computational strategies for metaoptimization and advanced hyperparameter tuning Project Management Plan Project Management Plan Initial Project communication plan and toolset (year 3) Initial Project communication plan and toolset updates Description of transversal coordination process and agile method for IT development cycle Description of transversal coordination process and agile method for IT development cycle Documentation material including articles and use case description (final) Documentation material including articles and use case description draft and final version Documentation material of the version 2 Documentation material of the version 2 (v2) of the platform, and platform pre-release for audit by WP5 Websites, patent fillings, videos etc. (1) Initial Project communication plan and toolset Initial Project communication plan and toolset; updates (M12, 24, 36) Publications Conference proceedings (1) Privacy-Preserving and Bandwidth-Efficient Federated Learning: An Application to In-Hospital Mortality Prediction Author(s): Raouf Kerkouche, Gergely Acs, Claude Castelluccia, Pierre Geneves Published in: ACM Conference on Health, Inference, and Learning (CHIL), 2021, Page(s) 25-35, ISBN 978-1-4503-3307-8 Publisher: ACM DOI: 10.1145/3450439.3451859 Peer reviewed articles (3) Don’t Overweight Weights: Evaluation of Weighting Strategies for Multi-Task Bioactivity Classification Models Author(s): Lina Humbeck, Tobias Morawietz, Noe Sturm, Adam Zalewski, Simon Harnqvist, Wouter Heyndrickx, Matthew Holme, Bernd Beck Published in: MDPI molecules, Issue 2021, 26 (22), 2021, ISSN 1420-3049 Publisher: Multidisciplinary Digital Publishing Institute (MDPI) DOI: 10.3390/molecules26226959 Splitting chemical structure data sets for federated privacy-preserving machine learning Author(s): Simm, Jaak; Humbeck, Lina; Zalewski, Adam; Sturm, Noe; Heyndrickx, Wouter; Moreau, Yves; Beck, Bernd; Schuffenhauer, Ansgar Published in: Journal of Cheminformatics, Issue 2021, vol 13, 2021, ISSN 2573-2293 Publisher: Springer DOI: 10.1186/s13321-021-00576-2 ChemGrapher: Optical Graph Recognition of Chemical Compounds by Deep Learning Author(s): Martijn Oldenhof, Adam Arany, Yves Moreau, Jaak Simm Published in: Journal of Chemical Information and Modeling, Issue 60/10, 2020, Page(s) 4506-4517, ISSN 1549-9596 Publisher: American Chemical Society DOI: 10.1021/acs.jcim.0c00459 Searching for OpenAIRE data... 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