OWSum

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Shared data for OWSum: algorithmic odor prediction and insight into structure-odor relationships (https://doi.org/10.1186/s13321-023-00722-y) We share the code of the machine-learning algorithm Olfactory Weighted Sum (OWSum) that was developed to predict the odor of molecules. Further, we share the used datasets that were derived from Dravnieks' Atlas of Odor Character Profiles (1985, doi: https://doi.org/10.1520/ds61-eb, ISBN: 9780803104563). Please do not open the feature dataset with excel as the number of columns exceeds the maximal column number in an excel worksheet.

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