Abstract
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.
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© 1988 Springer-Verlag Berlin Heidelberg
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Heller, S.R. (1988). Questions and Issues About the Process of Estimating Properties of Chemicals. In: Jochum, C., Hicks, M.G., Sunkel, J. (eds) Physical Property Prediction in Organic Chemistry. Springer, Berlin, Heidelberg. https://doi.org/10.1007/978-3-642-74140-1_4
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DOI: https://doi.org/10.1007/978-3-642-74140-1_4
Publisher Name: Springer, Berlin, Heidelberg
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