Questions and Issues About the Process of Estimating Properties of Chemicals
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Questions and issues about property prediction are addressed and discussed. Issues such as reliability, evaluation of predicted values and how to handle different/multiple values predicted from different methodology, and how the data should be presented to the user community are critical to a project of the scale of the Beilstein database of chemicals. Lastly a proposal is presented as to how to initially address large-scale prediction of properties of chemicals.
KeywordsSpecific Weight Methyl Bromide Predictive Method Property Prediction Halogenated Hydrocarbon
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