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Title:
euroSAMPL1 challenge data and analysis
Additional titles:
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Description:
(Abstract) The euroSAMPL1 challenge was devoted to the prediction of aqueous pKa values of small drug-like molecules provided as SMILES strings and, as a novel challenge component, included a peer evaluation of submissions concerning FAIR criteria as well as reproducibility (FAIR+R).
Keywords:
acidity
blind prediction challenge
euroSAMPL
research data management
reproducibility
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Language:
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Version:
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Subject areas:
Chemistry
Resource type:
Dataset
Data source:
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Software used:
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Data processing:
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Publication year:
Rights holders:
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Funding:
Deutsche Forschungsgemeinschaft - (NFDI4Chem)(Projektnummer 441958208)
Deutsche Forschungsgemeinschaft - (EXC-2033)(Projektnummer 390677874)
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Status:
Published
Uploaded by:
smkast
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Archiving date:
2025-08-12
Archive size:
25.6 kB
Archive creator:
smkast
Archive checksum:
94ebffd774e8db35de8997b44d6106dc (MD5)
Embargo period:
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