Computergestützte Entwicklung von Multi-Enzym Netzwerken

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Primary Data

Project Acronym Projekt Kurzbezeichnung
Stipendium E.Heid
 
Project Title (de) Projekttitel (de)
Computergestützte Entwicklung von Multi-Enzym Netzwerken
 
Project Title (en) Projekttitel (en)
Computer-aided design of multi-enzyme networks
 
Consortium Coordinator Koordinator des Konsortiums
 
Principal Investigator Projektleiter_in
 

Grants

Funder/Funding Agency Fördergeber
FWF - Österr. Wissenschaftsfonds
Grant number Förderkennnummer
J 4415-B
 

Publications

Results 1-6 of 6 (Search time: 0.004 seconds).

PreviewAuthor(s)TitleTypeIssue Date
1Heid, Esther ; Probst, Daniel ; Green, William H ; Madsen, Georg Kent Hellerup EnzymeMap: curation, validation and data-driven prediction of enzymatic reactionsArticle Artikel 28-Dec-2023
2Heid, Esther ; Greenman, Kevin P ; Chung, Yunsie ; Li, Shih-Cheng ; Graff, David E ; Vermeire, Florence ; Wu, Haoyang ; Green, William H ; McGill, Charles J Chemprop: A Machine Learning Package for Chemical Property PredictionArticle Artikel 26-Dec-2023
3Heid, Esther Carina ; McGill, Charles ; Vermeire, Florence ; Green, William H ; Madsen, Georg Kent Hellerup Errors and Uncertainty in Machine Learning ModelsPresentation Vortrag25-Sep-2023
4Heid, Esther Carina Deep learning of reaction properties via graph-convolutional neural netsPresentation Vortrag6-Sep-2023
5Heid-2023-Journal of Chemical Information and Modeling-vor.pdf.jpgHeid, Esther ; McGill, Charles J. ; Vermeire, Florence ; Green, William H Characterizing uncertainty in machine learning for chemistryArticle Artikel 10-Jul-2023
6Carrete-2023-Journal of Chemical Physics-vor.pdf.jpgCarrete, Jesús ; Montes-Campos, Hadrián ; Wanzenböck, Ralf ; Heid, Esther ; Madsen, Georg K H Deep ensembles vs committees for uncertainty estimation in neural-network force fields: Comparison and application to active learningArticle Artikel 28-May-2023